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Angel Rubio, Ph.D. - Publications

Affiliations: 
University of the Basque Country, Leioa, Euskadi, Spain 
Website:
http://nano-bio.ehu.es/angel_rubio/
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399 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Schäfer C, Flick J, Ronca E, Narang P, Rubio A. Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity. Nature Communications. 13: 7817. PMID 36535939 DOI: 10.1038/s41467-022-35363-6  0.671
2022 Sidler D, Ruggenthaler M, Schäfer C, Ronca E, Rubio A. A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity. The Journal of Chemical Physics. 156: 230901. PMID 35732522 DOI: 10.1063/5.0094956  0.693
2022 Zhou L, Huang J, Windgaetter L, Ong CS, Zhao X, Zhang C, Tang M, Li Z, Qiu C, Latini S, Lu Y, Wu D, Gou H, Wee ATS, Hosono H, ... ... Rubio A, et al. Publisher Correction: Unconventional excitonic states with phonon sidebands in layered silicon diphosphide. Nature Materials. PMID 35729288 DOI: 10.1038/s41563-022-01315-0  0.36
2022 Zhou L, Huang J, Windgaetter L, Ong CS, Zhao X, Zhang C, Tang M, Li Z, Qiu C, Latini S, Lu Y, Wu D, Gou H, Wee ATS, Hosono H, ... ... Rubio A, et al. Unconventional excitonic states with phonon sidebands in layered silicon diphosphide. Nature Materials. PMID 35710630 DOI: 10.1038/s41563-022-01285-3  0.457
2021 Haugland TS, Schäfer C, Ronca E, Rubio A, Koch H. Intermolecular interactions in optical cavities: An ab initio QED study. The Journal of Chemical Physics. 154: 094113. PMID 33685159 DOI: 10.1063/5.0039256  0.697
2020 Baldini E, Palmieri T, Dominguez A, Rubio A, Chergui M. Giant Exciton Mott Density in Anatase TiO_{2}. Physical Review Letters. 125: 116403. PMID 32976006 DOI: 10.1103/Physrevlett.125.116403  0.384
2020 Gatti G, Crepaldi A, Puppin M, Tancogne-Dejean N, Xian L, De Giovannini U, Roth S, Polishchuk S, Bugnon P, Magrez A, Berger H, Frassetto F, Poletto L, Moreschini L, Moser S, ... ... Rubio A, et al. Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe. Physical Review Letters. 125: 076401. PMID 32857568 DOI: 10.1103/Physrevlett.125.076401  0.412
2020 Theophilou I, Penz M, Ruggenthaler M, Rubio A. Virial Relations for Electrons Coupled to Quantum Field Modes. Journal of Chemical Theory and Computation. PMID 32816479 DOI: 10.1021/Acs.Jctc.0C00618  0.352
2020 Sidler D, Ruggenthaler M, Appel H, Rubio A. Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation. The Journal of Physical Chemistry Letters. 7525-7530. PMID 32805122 DOI: 10.1021/Acs.Jpclett.0C01556  0.369
2020 Buchholz F, Theophilou I, Giesbertz KJH, Ruggenthaler M, Rubio A. Light-matter hybrid-orbital-based first-principles methods: the influence of the polariton statistics. Journal of Chemical Theory and Computation. PMID 32692551 DOI: 10.1021/Acs.Jctc.0C00469  0.389
2020 Wang L, Shih EM, Ghiotto A, Xian L, Rhodes DA, Tan C, Claassen M, Kennes DM, Bai Y, Kim B, Watanabe K, Taniguchi T, Zhu X, Hone J, Rubio A, et al. Correlated electronic phases in twisted bilayer transition metal dichalcogenides. Nature Materials. PMID 32572205 DOI: 10.1038/S41563-020-0708-6  0.338
2020 Shi J, Baldini E, Latini S, Sato SA, Zhang Y, Pein BC, Shen PC, Kong J, Rubio A, Gedik N, Nelson KA. Room Temperature Terahertz Electroabsorption Modulation by Excitons in Monolayer Transition Metal Dichalcogenides. Nano Letters. PMID 32539410 DOI: 10.1021/Acs.Nanolett.0C01134  0.306
2020 Mazza G, Rösner M, Windgätter L, Latini S, Hübener H, Millis AJ, Rubio A, Georges A. Nature of Symmetry Breaking at the Excitonic Insulator Transition: Ta_{2}NiSe_{5}. Physical Review Letters. 124: 197601. PMID 32469559 DOI: 10.1103/Physrevlett.124.197601  0.344
2020 Trabattoni A, Wiese J, De Giovannini U, Olivieri JF, Mullins T, Onvlee J, Son SK, Frusteri B, Rubio A, Trippel S, Küpper J. Setting the photoelectron clock through molecular alignment. Nature Communications. 11: 2546. PMID 32439923 DOI: 10.1038/S41467-020-16270-0  0.319
2020 Timm M, Leung L, Anggara K, Lim T, Hu Z, Latini S, Rubio A, Polanyi JC. Contrasting Efficiency of Electron-induced Reaction at Cu(110) in Aliphatic and Aromatic Bromides. Journal of the American Chemical Society. PMID 32329343 DOI: 10.1021/Jacs.0C02851  0.34
2020 Schäfer C, Ruggenthaler M, Rokaj V, Rubio A. Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics. Acs Photonics. 7: 975-990. PMID 32322607 DOI: 10.1021/Acsphotonics.9B01649  0.312
2020 Tancogne-Dejean N, Oliveira MJT, Andrade X, Appel H, Borca CH, Le Breton G, Buchholz F, Castro A, Corni S, Correa AA, De Giovannini U, Delgado A, Eich FG, Flick J, Gil G, ... ... Rubio A, et al. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems. The Journal of Chemical Physics. 152: 124119. PMID 32241132 DOI: 10.1063/1.5142502  0.7
2020 Baldini E, Sentef MA, Acharya S, Brumme T, Sheveleva E, Lyzwa F, Pomjakushina E, Bernhard C, van Schilfgaarde M, Carbone F, Rubio A, Weber C. Electron-phonon-driven three-dimensional metallicity in an insulating cuprate. Proceedings of the National Academy of Sciences of the United States of America. PMID 32161128 DOI: 10.1073/Pnas.1919451117  0.386
2020 Schüler M, De Giovannini U, Hübener H, Rubio A, Sentef MA, Werner P. Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials. Science Advances. 6: eaay2730. PMID 32158939 DOI: 10.1126/Sciadv.Aay2730  0.304
2020 da Jornada FH, Xian L, Rubio A, Louie SG. Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals. Nature Communications. 11: 1013. PMID 32081895 DOI: 10.1038/S41467-020-14826-8  0.489
2020 Piskun I, Blackwell R, Jornet-Somoza J, Zhao F, Rubio A, Louie SG, Fischer FR. Covalent C-N Bond Formation Through a Surface Catalyzed Thermal Cyclodehydrogenation. Journal of the American Chemical Society. PMID 32043869 DOI: 10.1021/Jacs.9B13507  0.485
2020 Tancogne-Dejean N, Eich FG, Rubio A. Time-dependent magnons from first principles. Journal of Chemical Theory and Computation. PMID 31922758 DOI: 10.1021/Acs.Jctc.9B01064  0.301
2020 Sato SA, Rubio A. Exact exchange-correlation potential of effectively interacting Kohn-Sham systems Physical Review A. 101: 12510. DOI: 10.1103/Physreva.101.012510  0.346
2020 Mrudul MS, Tancogne-Dejean N, Rubio A, Dixit G. High-harmonic generation from spin-polarised defects in solids Npj Computational Materials. 6. DOI: 10.1038/S41524-020-0275-Z  0.331
2019 Hoffmann NM, Schäfer C, Säkkinen N, Rubio A, Appel H, Kelly A. Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference. The Journal of Chemical Physics. 151: 244113. PMID 31893926 DOI: 10.1063/1.5128076  0.31
2019 Baldini E, Dominguez A, Palmieri T, Cannelli O, Rubio A, Ruello P, Chergui M. Exciton control in a room temperature bulk semiconductor with coherent strain pulses. Science Advances. 5: eaax2937. PMID 31819899 DOI: 10.1126/Sciadv.Aax2937  0.333
2019 Flick J, Welakuh DM, Ruggenthaler M, Appel H, Rubio A. Light-Matter Response in Nonrelativistic Quantum Electrodynamics. Acs Photonics. 6: 2757-2778. PMID 31788500 DOI: 10.1021/Acsphotonics.9B00768  0.343
2019 Buchholz F, Theophilou I, Nielsen SEB, Ruggenthaler M, Rubio A. Reduced Density-Matrix Approach to Strong Matter-Photon Interaction. Acs Photonics. 6: 2694-2711. PMID 31788499 DOI: 10.1021/Acsphotonics.9B00648  0.368
2019 Covito F, Rubio A, Eich FG. Non-adiabatic electron dynamics in tunneling junctions: lattice Exchange-Correlation potential. Journal of Chemical Theory and Computation. PMID 31738542 DOI: 10.1021/Acs.Jctc.9B00893  0.363
2019 Tchenkoue MM, Penz M, Theophilou I, Ruggenthaler M, Rubio A. Force balance approach for advanced approximations in density functional theories. The Journal of Chemical Physics. 151: 154107. PMID 31640386 DOI: 10.1063/1.5123608  0.343
2019 Mordovina U, Reinhard TE, Theophilou I, Appel H, Rubio A. Self-Consistent Density-Functional Embedding: a Novel Approach for Density-Functional Approximations. Journal of Chemical Theory and Computation. PMID 31490684 DOI: 10.1021/Acs.Jctc.9B00063  0.338
2019 Kerelsky A, McGilly LJ, Kennes DM, Xian L, Yankowitz M, Chen S, Watanabe K, Taniguchi T, Hone J, Dean C, Rubio A, Pasupathy AN. Maximized electron interactions at the magic angle in twisted bilayer graphene. Nature. 572: 95-100. PMID 31367030 DOI: 10.1038/S41586-019-1431-9  0.381
2019 Xian L, Kennes DM, Tancogne-Dejean N, Altarelli M, Rubio A. Multi-flat bands and strong correlations in Twisted Bilayer Boron Nitride: doping induced correlated insulator and superconductor. Nano Letters. PMID 31260633 DOI: 10.1021/Acs.Nanolett.9B00986  0.34
2019 Latini S, Ronca E, De Giovannini U, Hübener H, Rubio A. Cavity Control of Excitons in Two-Dimensional Materials. Nano Letters. PMID 31046291 DOI: 10.1021/Acs.Nanolett.9B00183  0.711
2019 Klemke N, Tancogne-Dejean N, Rossi GM, Yang Y, Scheiba F, Mainz RE, Di Sciacca G, Rubio A, Kärtner FX, Mücke OD. Polarization-state-resolved high-harmonic spectroscopy of solids. Nature Communications. 10: 1319. PMID 30899026 DOI: 10.1038/S41467-019-09328-1  0.333
2019 Reinhard TE, Mordovina U, Hubig C, Kretchmer JS, Schollwöck U, Appel H, Sentef MA, Rubio A. Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model. Journal of Chemical Theory and Computation. PMID 30807149 DOI: 10.1021/Acs.Jctc.8B01116  0.373
2019 Shin D, Sato SA, Hübener H, De Giovannini U, Kim J, Park N, Rubio A. Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states. Proceedings of the National Academy of Sciences of the United States of America. PMID 30765519 DOI: 10.1073/Pnas.1816904116  0.349
2019 Schäfer C, Ruggenthaler M, Appel H, Rubio A. Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry. Proceedings of the National Academy of Sciences of the United States of America. PMID 30733295 DOI: 10.1073/Pnas.1814178116  0.336
2019 Topp GE, Jotzu G, McIver JW, Xian L, Rubio A, Sentef MA. Topological Floquet engineering of twisted bilayer graphene Arxiv: Materials Science. 1: 23031. DOI: 10.1103/Physrevresearch.1.023031  0.324
2019 Albareda G, Kelly A, Rubio A. Nonadiabatic quantum dynamics without potential energy surfaces Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.023803  0.361
2019 Sato SA, McIver JW, Nuske M, Tang P, Jotzu G, Schulte B, Hübener H, Giovannini UD, Mathey L, Sentef MA, Cavalleri A, Rubio A. Microscopic theory for the light-induced anomalous Hall effect in graphene Physical Review B. 99: 214302. DOI: 10.1103/Physrevb.99.214302  0.325
2019 Sato SA, Tang P, Sentef MA, Giovannini UD, Hübener H, Rubio A. Light-induced anomalous Hall effect in massless Dirac fermion systems and topological insulators with dissipation New Journal of Physics. 21: 93005. DOI: 10.1088/1367-2630/Ab3Acf  0.329
2019 Volkov M, Sato SA, Schlaepfer F, Kasmi L, Hartmann N, Lucchini M, Gallmann LP, Rubio A, Keller U. Attosecond screening dynamics mediated by electron localization in transition metals Nature Physics. 15: 1145-1149. DOI: 10.1038/S41567-019-0602-9  0.368
2018 Sentef MA, Ruggenthaler M, Rubio A. Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity. Science Advances. 4: eaau6969. PMID 30515456 DOI: 10.1126/Sciadv.Aau6969  0.329
2018 Topp GE, Tancogne-Dejean N, Kemper AF, Rubio A, Sentef MA. All-optical nonequilibrium pathway to stabilising magnetic Weyl semimetals in pyrochlore iridates. Nature Communications. 9: 4452. PMID 30367073 DOI: 10.1038/S41467-018-06991-8  0.33
2018 Tancogne-Dejean N, Sentef MA, Rubio A. Ultrafast Modification of Hubbard U in a Strongly Correlated Material: Ab initio High-Harmonic Generation in NiO. Physical Review Letters. 121: 097402. PMID 30230880 DOI: 10.1103/Physrevlett.121.097402  0.342
2018 Baldini E, Palmieri T, Dominguez A, Ruello P, Rubio A, Chergui M. Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO Nanoparticles. Nano Letters. 18: 5007-5014. PMID 30040906 DOI: 10.1021/Acs.Nanolett.8B01837  0.331
2018 Theophilou I, Buchholz F, Eich FG, Ruggenthaler M, Rubio A. Kinetic-Energy Density-Functional Theory on a Lattice. Journal of Chemical Theory and Computation. PMID 29969552 DOI: 10.1021/Acs.Jctc.8B00292  0.351
2018 Gómez Pueyo A, Marques MAL, Rubio A, Castro A. Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods. Journal of Chemical Theory and Computation. PMID 29672048 DOI: 10.1021/Acs.Jctc.8B00197  0.309
2018 Flick J, Schäfer C, Ruggenthaler M, Appel H, Rubio A. Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State. Acs Photonics. 5: 992-1005. PMID 29594185 DOI: 10.1021/Acsphotonics.7B01279  0.405
2018 Ducke J, Riss A, Pérez Paz A, Seufert K, Schwarz M, Garnica M, Rubio A, Auwärter W. Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation. Acs Nano. PMID 29498827 DOI: 10.1021/Acsnano.7B08887  0.316
2018 Tancogne-Dejean N, Rubio A. Atomic-like high-harmonic generation from two-dimensional materials. Science Advances. 4: eaao5207. PMID 29487903 DOI: 10.1126/Sciadv.Aao5207  0.358
2018 Shin D, Hübener H, De Giovannini U, Jin H, Rubio A, Park N. Phonon-driven spin-Floquet magneto-valleytronics in MoS2. Nature Communications. 9: 638. PMID 29434265 DOI: 10.1038/S41467-018-02918-5  0.336
2018 Hübener H, De Giovannini U, Rubio A. Phonon driven Floquet matter. Nano Letters. PMID 29361223 DOI: 10.1021/Acs.Nanolett.7B05391  0.397
2018 Miyamoto Y, Rubio A. Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials Journal of the Physical Society of Japan. 87: 041016. DOI: 10.7566/Jpsj.87.041016  0.366
2018 Sato S, Hübener H, De Giovannini U, Rubio A. Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials Applied Sciences. 8: 1777. DOI: 10.3390/App8101777  0.355
2018 Covito F, Perfetto E, Rubio A, Stefanucci G. Benchmarking nonequilibrium Green’s functions against configuration interaction for time-dependent Auger decay processes European Physical Journal B. 91: 1-7. DOI: 10.1140/Epjb/E2018-90161-2  0.403
2018 Sato SA, Hübener H, Rubio A, Giovannini UD. First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory European Physical Journal B. 91: 126. DOI: 10.1140/Epjb/E2018-90108-7  0.325
2018 Le Breton G, Rubio A, Tancogne-Dejean N. High-harmonic generation from few-layer hexagonal boron nitride: Evolution from monolayer to bulk response Physical Review B. 98. DOI: 10.1103/Physrevb.98.165308  0.332
2018 Sato SA, Kelly A, Rubio A. Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics Physical Review B. 97. DOI: 10.1103/Physrevb.97.134308  0.373
2018 Schäfer C, Ruggenthaler M, Rubio A. Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling Physical Review A. 98: 43801. DOI: 10.1103/Physreva.98.043801  0.344
2018 Krečinić F, Wopperer P, Frusteri B, Brauße F, Brisset J, De Giovannini U, Rubio A, Rouzée A, Vrakking MJJ. Multiple-orbital effects in laser-induced electron diffraction of aligned molecules Physical Review A. 98. DOI: 10.1103/Physreva.98.041401  0.363
2018 Covito F, Perfetto E, Rubio A, Stefanucci G. Real-time dynamics of Auger wave packets and decays in ultrafast charge migration processes Physical Review A. 97: 61401. DOI: 10.1103/Physreva.97.061401  0.339
2018 Rokaj V, Welakuh DM, Ruggenthaler M, Rubio A. Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy Journal of Physics B: Atomic, Molecular and Optical Physics. 51: 034005. DOI: 10.1088/1361-6455/Aa9C99  0.32
2018 Schlaepfer F, Lucchini M, Sato SA, Volkov M, Kasmi L, Hartmann N, Rubio A, Gallmann LP, Keller U. Attosecond optical-field-enhanced carrier injection into the GaAs conduction band Nature Physics. 14: 560-564. DOI: 10.1038/S41567-018-0069-0  0.325
2018 Cahangirov S, Rubio A. Atomic and electronic structure of silicene on Ag: a theoretical perspective Nanoscience and Technology. 159-178. DOI: 10.1007/978-3-319-99964-7_8  0.304
2017 Tancogne-Dejean N, Mücke OD, Kärtner FX, Rubio A. Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics. Nature Communications. 8: 745. PMID 28963478 DOI: 10.1038/S41467-017-00764-5  0.319
2017 Waldecker L, Bertoni R, Hübener H, Brumme T, Vasileiadis T, Zahn D, Rubio A, Ernstorfer R. Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe_{2}. Physical Review Letters. 119: 036803. PMID 28777602 DOI: 10.1103/Physrevlett.119.036803  0.399
2017 Leret S, Pouillon Y, Casado S, Navío C, Rubio Á, Pérez EM. Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation. Chemical Science. 8: 1927-1935. PMID 28451307 DOI: 10.1039/C6Sc03894H  0.317
2017 Baldini E, Chiodo L, Dominguez A, Palummo M, Moser S, Yazdi-Rizi M, Auböck G, Mallett BP, Berger H, Magrez A, Bernhard C, Grioni M, Rubio A, Chergui M. Strongly bound excitons in anatase TiO2 single crystals and nanoparticles. Nature Communications. 8: 13. PMID 28408739 DOI: 10.1038/S41467-017-00016-6  0.575
2017 Tancogne-Dejean N, Mücke OD, Kärtner FX, Rubio A. Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids. Physical Review Letters. 118: 087403. PMID 28282201 DOI: 10.1103/Physrevlett.118.087403  0.365
2017 Flick J, Appel H, Ruggenthaler M, Rubio A. Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems. Journal of Chemical Theory and Computation. PMID 28277664 DOI: 10.1021/Acs.Jctc.6B01126  0.372
2017 Khosravi E, Abedi A, Rubio A, Maitra NT. Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective. Physical Chemistry Chemical Physics : Pccp. PMID 28277579 DOI: 10.1039/C6Cp08539C  0.357
2017 Flick J, Ruggenthaler M, Appel H, Rubio A. Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry. Proceedings of the National Academy of Sciences of the United States of America. PMID 28275094 DOI: 10.1073/Pnas.1615509114  0.328
2017 Hübener H, Sentef MA, De Giovannini U, Kemper AF, Rubio A. Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials. Nature Communications. 8: 13940. PMID 28094286 DOI: 10.1038/Ncomms13940  0.337
2017 Wopperer P, Giovannini UD, Rubio A. Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT European Physical Journal B. 90: 51. DOI: 10.1140/Epjb/E2017-70548-3  0.394
2017 Shi L, Rohringer P, Wanko M, Rubio A, Waßerroth S, Reich S, Cambré S, Wenseleers W, Ayala P, Pichler T. Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.075601  0.319
2017 Tancogne-Dejean N, Oliveira MJT, Rubio A. Self-consistent DFT+U method for real-space time-dependent density functional theory calculations Physical Review B. 96. DOI: 10.1103/Physrevb.96.245133  0.392
2017 Baldini E, Dominguez A, Chiodo L, Sheveleva E, Yazdi-Rizi M, Bernhard C, Rubio A, Chergui M. Anomalous anisotropic exciton temperature dependence in rutile TiO2 Physical Review B. 96. DOI: 10.1103/Physrevb.96.041204  0.588
2017 Sen HS, Xian L, H. da Jornada F, Louie SG, Rubio A. Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures Israel Journal of Chemistry. 57: 540-546. DOI: 10.1002/Ijch.201600122  0.5
2016 Bertoni R, Nicholson CW, Waldecker L, Hübener H, Monney C, De Giovannini U, Puppin M, Hoesch M, Springate E, Chapman RT, Cacho C, Wolf M, Rubio A, Ernstorfer R. Generation and Evolution of Spin-, Valley-, and Layer-Polarized Excited Carriers in Inversion-Symmetric WSe_{2}. Physical Review Letters. 117: 277201. PMID 28084758 DOI: 10.1103/Physrevlett.117.277201  0.338
2016 De Giovannini U, Hübener H, Rubio A. A First-Principles Time-Dependent Density Functional Theory Framework for Spin and Time-Resolved Angular-Resolved Photoelectron Spectroscopy in Periodic Systems. Journal of Chemical Theory and Computation. PMID 27981832 DOI: 10.1021/Acs.Jctc.6B00897  0.367
2016 De Giovannini U, Hübener H, Rubio A. Monitoring Electron-Photon Dressing in WSe2. Nano Letters. 16: 7993-7998. PMID 27960498 DOI: 10.1021/Acs.Nanolett.6B04419  0.38
2016 Martínez-Periñán E, de Juan A, Pouillon Y, Schierl C, Strauss V, Martín N, Rubio Á, Guldi DM, Lorenzo E, Pérez EM. The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties. Nanoscale. 8: 9254-64. PMID 27089449 DOI: 10.1039/C6Nr01182A  0.368
2016 Larsen AH, De Giovannini U, Rubio A. Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission. Topics in Current Chemistry. 368: 219-71. PMID 25860253 DOI: 10.1007/128_2014_616  0.401
2016 Walkenhorst J, De Giovannini U, Castro A, Rubio A. Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra The European Physical Journal B. 89. DOI: 10.1140/Epjb/E2016-70064-0  0.391
2016 Wanko M, Cahangirov S, Shi L, Rohringer P, Lapin ZJ, Novotny L, Ayala P, Pichler T, Rubio A. Polyyne electronic and vibrational properties under environmental interactions Physical Review B. 94. DOI: 10.1103/Physrevb.94.195422  0.329
2016 Ersan F, Cahangirov S, Gökoğlu G, Rubio A, Aktürk E. Stable monolayer honeycomb-like structures of RuX2 (X=S, Se) Physical Review B. 94: 155415. DOI: 10.1103/Physrevb.94.155415  0.304
2016 Cao W, Tang P, Zhang S, Duan W, Rubio A. Stable Dirac semimetal in the allotropes of group-IV elements Physical Review B. 93. DOI: 10.1103/Physrevb.93.241117  0.342
2016 Bacaksiz C, Cahangirov S, Rubio A, Senger RT, Peeters FM, Sahin H. Bilayer SnS2: Tunable stacking sequence by charging and loading pressure Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.125403  0.317
2016 Casadei M, Ren X, Rinke P, Rubio A, Scheffler M. Density functional theory study of the α-γ Phase transition in cerium: Role of electron correlation and f -orbital localization Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.075153  0.314
2016 Albareda G, Abedi A, Tavernelli I, Rubio A. Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer picture Physical Review A. 94. DOI: 10.1103/Physreva.94.062511  0.347
2016 Lubasch M, Fuks JI, Appel H, Rubio A, Cirac JI, Bañuls M. Systematic construction of density functionals based on matrix product state computations New Journal of Physics. 18: 083039. DOI: 10.1088/1367-2630/18/8/083039  0.324
2016 Kylänpää I, Berardi F, Räsänen E, García-González P, Rozzi CA, Rubio A. Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study New Journal of Physics. 18: 083014. DOI: 10.1088/1367-2630/18/8/083014  0.346
2016 Dimitrov T, Appel H, Fuks JI, Rubio A. Exact maps in density functional theory for lattice models New Journal of Physics. 18: 083004. DOI: 10.1088/1367-2630/18/8/083004  0.333
2016 Cudazzo P, Müller E, Habenicht C, Gatti M, Berger H, Knupfer M, Rubio A, Huotari S. Negative plasmon dispersion in 2H-NbS2beyond the charge-density-wave interpretation New Journal of Physics. 18: 103050. DOI: 10.1088/1367-2630/18/10/103050  0.328
2016 Torun E, Sahin H, Cahangirov S, Rubio A, Peeters FM. Anisotropic electronic, mechanical, and optical properties of monolayer WTe2 Journal of Applied Physics. 119. DOI: 10.1063/1.4942162  0.343
2016 García-Lastra JM, Boukahil I, Qiao R, Rubio A, Himpsel FJ. Electronic Structure of Low-Dimensional Carbon π-Systems The Journal of Physical Chemistry C. 120: 12362-12368. DOI: 10.1021/Acs.Jpcc.6B02530  0.392
2016 Glanzmann LN, Mowbray DJ, Del Valle DGF, Scotognella F, Lanzani G, Rubio A. Photoinduced absorption within single-walled carbon nanotube systems Journal of Physical Chemistry C. 120: 1926-1935. DOI: 10.1021/Acs.Jpcc.5B10025  0.339
2015 Ørnsø KB, Garcia-Lastra JM, De La Torre G, Himpsel FJ, Rubio A, Thygesen KS. Design of two-photon molecular tandem architectures for solar cells by ab initio theory. Chemical Science. 6: 3018-3025. PMID 29142685 DOI: 10.1039/C4Sc03835E  0.335
2015 Flick J, Ruggenthaler M, Appel H, Rubio A. Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space. Proceedings of the National Academy of Sciences of the United States of America. PMID 26627715 DOI: 10.1073/Pnas.1518224112  0.378
2015 Houmøller J, Wanko M, Rubio A, Nielsen SB. Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue? The Journal of Physical Chemistry. A. PMID 26549521 DOI: 10.1021/Acs.Jpca.5B08634  0.342
2015 Pellegrini C, Flick J, Tokatly IV, Appel H, Rubio A. Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory. Physical Review Letters. 115: 093001. PMID 26371646 DOI: 10.1103/Physrevlett.115.093001  0.418
2015 Biele R, D'Agosta R, Rubio A. Time-Dependent Thermal Transport Theory. Physical Review Letters. 115: 056801. PMID 26274434 DOI: 10.1103/Physrevlett.115.056801  0.313
2015 Albareda G, Bofill JM, Tavernelli I, Huarte-Larrañaga F, Illas F, Rubio A. Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine. The Journal of Physical Chemistry Letters. 6: 1529-35. PMID 26263307 DOI: 10.1021/Acs.Jpclett.5B00422  0.32
2015 Varas A, García-González P, García-Vidal FJ, Rubio A. Anisotropy Effects on the Plasmonic Response of Nanoparticle Dimers. The Journal of Physical Chemistry Letters. 6: 1891-8. PMID 26263265 DOI: 10.1021/Acs.Jpclett.5B00573  0.314
2015 Theophilou I, Lathiotakis NN, Gidopoulos NI, Rubio A, Helbig N. Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals? The Journal of Chemical Physics. 143: 054106. PMID 26254641 DOI: 10.1063/1.4927784  0.342
2015 Jornet-Somoza J, Alberdi-Rodriguez J, Milne BF, Andrade X, Marques MA, Nogueira F, Oliveira MJ, Stewart JJ, Rubio A. Insights into colour-tuning of chlorophyll optical response in green plants. Physical Chemistry Chemical Physics : Pccp. 17: 26599-606. PMID 26250099 DOI: 10.1039/C5Cp03392F  0.683
2015 Stockett MH, Musbat L, Kjær C, Houmøller J, Toker Y, Rubio A, Milne BF, Brøndsted Nielsen S. The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions. Physical Chemistry Chemical Physics : Pccp. 17: 25793-8. PMID 25873157 DOI: 10.1039/C5Cp01513H  0.315
2015 Miyamoto Y, Zhang H, Miyazaki T, Rubio A. Modifying the interlayer interaction in layered materials with an intense IR laser. Physical Review Letters. 114: 116102. PMID 25839294 DOI: 10.1103/Physrevlett.114.116102  0.318
2015 Andrade X, Strubbe D, De Giovannini U, Larsen AH, Oliveira MJ, Alberdi-Rodriguez J, Varas A, Theophilou I, Helbig N, Verstraete MJ, Stella L, Nogueira F, Aspuru-Guzik A, Castro A, Marques MA, ... Rubio A, et al. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems. Physical Chemistry Chemical Physics : Pccp. PMID 25721500 DOI: 10.1039/C5Cp00351B  0.726
2015 Milne BF, Toker Y, Rubio A, Nielsen SB. Unraveling the intrinsic color of chlorophyll. Angewandte Chemie (International Ed. in English). 54: 2170-3. PMID 25556959 DOI: 10.1002/Anie.201410899  0.317
2015 Castro A, Rubio A, Gross EKU. Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme European Physical Journal B. 88. DOI: 10.1140/Epjb/E2015-50889-7  0.385
2015 De Giovannini U, Larsen AH, Rubio A. Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries European Physical Journal B. 88: 1-12. DOI: 10.1140/Epjb/E2015-50808-0  0.314
2015 Hellgren M, Caruso F, Rohr DR, Ren X, Rubio A, Scheffler M, Rinke P. Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.165110  0.325
2015 Squire RH, March NH, Rubio A. Can Cooper pairs in benzene lead to Efimov states? Molecular Physics. 113: 294-296. DOI: 10.1080/00268976.2014.938708  0.313
2014 Migani A, Mowbray DJ, Zhao J, Petek H, Rubio A. Quasiparticle Level Alignment for Photocatalytic Interfaces. Journal of Chemical Theory and Computation. 10: 2103-13. PMID 26580537 DOI: 10.1021/Ct500087V  0.384
2014 Flick J, Appel H, Rubio A. Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems. Journal of Chemical Theory and Computation. 10: 1665-76. PMID 26580375 DOI: 10.1021/Ct4010933  0.327
2014 Wegkamp D, Herzog M, Xian L, Gatti M, Cudazzo P, McGahan CL, Marvel RE, Haglund RF, Rubio A, Wolf M, Stähler J. Instantaneous band gap collapse in photoexcited monoclinic VO2 due to photocarrier doping. Physical Review Letters. 113: 216401. PMID 25479507 DOI: 10.1103/Physrevlett.113.216401  0.367
2014 Lathiotakis NN, Helbig N, Rubio A, Gidopoulos NI. Quasi-particle energy spectra in local reduced density matrix functional theory. The Journal of Chemical Physics. 141: 164120. PMID 25362285 DOI: 10.1063/1.4899072  0.359
2014 Albareda G, Appel H, Franco I, Abedi A, Rubio A. Correlated electron-nuclear dynamics with conditional wave functions. Physical Review Letters. 113: 083003. PMID 25192095 DOI: 10.1103/Physrevlett.113.083003  0.338
2014 Falke SM, Rozzi CA, Brida D, Maiuri M, Amato M, Sommer E, De Sio A, Rubio A, Cerullo G, Molinari E, Lienau C. Coherent ultrafast charge transfer in an organic photovoltaic blend. Science (New York, N.Y.). 344: 1001-5. PMID 24876491 DOI: 10.1126/Science.1249771  0.323
2014 Malic E, Appel H, Hofmann OT, Rubio A. Förster-Induced Energy Transfer in Functionalized Graphene. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 118: 9283-9289. PMID 24808936 DOI: 10.1021/Jp5019636  0.348
2014 Brøndsted Nielsen S, Brøndsted Nielsen M, Rubio A. Spectroscopy of nitrophenolates in vacuo: effect of spacer, configuration, and microsolvation on the charge-transfer excitation energy. Accounts of Chemical Research. 47: 1417-25. PMID 24673172 DOI: 10.1021/Ar500025H  0.377
2014 Palma CA, Diller K, Berger R, Welle A, Björk J, Cabellos JL, Mowbray DJ, Papageorgiou AC, Ivleva NP, Matich S, Margapoti E, Niessner R, Menges B, Reichert J, Feng X, ... ... Rubio A, et al. Photoinduced C-C reactions on insulators toward photolithography of graphene nanoarchitectures. Journal of the American Chemical Society. 136: 4651-8. PMID 24524804 DOI: 10.1021/Ja412868W  0.304
2014 Ruiz-Soria G, Pérez Paz A, Sauer M, Mowbray DJ, Lacovig P, Dalmiglio M, Lizzit S, Yanagi K, Rubio A, Goldoni A, Ayala P, Pichler T. Revealing the adsorption mechanisms of nitroxides on ultrapure, metallicity-sorted carbon nanotubes. Acs Nano. 8: 1375-83. PMID 24404865 DOI: 10.1021/Nn405114Z  0.316
2014 García-Risueño P, Alberdi-Rodriguez J, Oliveira MJT, Andrade X, Pippig M, Muguerza J, Arruabarrena A, Rubio A. A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations Journal of Computational Chemistry. 35: 427-444. PMID 24249048 DOI: 10.1002/Jcc.23487  0.68
2014 Cudazzo P, Gatti M, Rubio A. Interplay between structure and electronic properties of layered transition-metal dichalcogenides: Comparing the loss function of 1T and 2H polymorphs Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.205128  0.346
2014 Zhang P, Feist J, Rubio A, García-González P, García-Vidal FJ. Ab initio nanoplasmonics: The impact of atomic structure Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.161407  0.336
2014 Cudazzo P, Ruotsalainen KO, Sahle CJ, Al-Zein A, Berger H, Navarro-Moratalla E, Huotari S, Gatti M, Rubio A. High-energy collective electronic excitations in layered transition-metal dichalcogenides Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.125125  0.391
2014 Tang P, Chen P, Cao W, Huang H, Cahangirov S, Xian L, Xu Y, Zhang SC, Duan W, Rubio A. Stable two-dimensional dumbbell stanene: A quantum spin Hall insulator Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.121408  0.324
2014 Crawford-Uranga A, De Giovannini U, Räsänen E, Oliveira MJT, Mowbray DJ, Nikolopoulos GM, Karamatskos ET, Markellos D, Lambropoulos P, Kurth S, Rubio A. Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/Physreva.90.033412  0.345
2014 Lathiotakis NN, Helbig N, Rubio A, Gidopoulos NI. Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/Physreva.90.032511  0.369
2014 Ruggenthaler M, Flick J, Pellegrini C, Appel H, Tokatly IV, Rubio A. Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/Physreva.90.012508  0.368
2014 Dávila ME, Xian L, Cahangirov S, Rubio A, Le Lay G. Germanene: A novel two-dimensional germanium allotrope akin to graphene and silicene New Journal of Physics. 16. DOI: 10.1088/1367-2630/16/9/095002  0.309
2014 Crawford-Uranga A, De Giovannini U, Mowbray DJ, Kurth S, Rubio A. Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene Journal of Physics B: Atomic, Molecular and Optical Physics. 47. DOI: 10.1088/0953-4075/47/12/124018  0.344
2014 Sarmiento-Pérez R, Botti S, Schnohr CS, Lauermann I, Rubio A, Johnson B. Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations Journal of Applied Physics. 116. DOI: 10.1063/1.4893579  0.355
2014 Miyamoto Y, Miyazaki T, Rubio A, Zhang H. Photo-induced strengthening of weak bonding in noble gas dimers Applied Physics Letters. 104. DOI: 10.1063/1.4875108  0.333
2014 Squire RH, March NH, Rubio A. Are there really cooper pairs and persistent currents in aromatic molecules? International Journal of Quantum Chemistry. 114: 437-440. DOI: 10.1002/Qua.24613  0.312
2014 Malic E, Appel H, Hofmann OT, Rubio A. Energy-transfer in porphyrin- functionalized graphene Physica Status Solidi (B) Basic Research. 251: 2495-2498. DOI: 10.1002/Pssb.201451246  0.348
2014 Christensen MA, Della Pia EA, Houmøller J, Thomsen S, Wanko M, Bond AD, Rubio A, Brøndsted Nielsen S, Brøndsted Nielsen M. Cross-conjugation vs. linear conjugation in donor-bridge-acceptor nitrophenol chromophores European Journal of Organic Chemistry. 2014: 2044-2052. DOI: 10.1002/Ejoc.201301642  0.33
2013 Fuks JI, Elliott P, Rubio A, Maitra NT. Dynamics of Charge-Transfer Processes with Time-Dependent Density Functional Theory. The Journal of Physical Chemistry Letters. 4: 735-9. PMID 26281927 DOI: 10.1021/Jz302099F  0.349
2013 Seivane LF, Barron H, Botti S, Marques MA, Rubio A, López-Lozano X. Atomic and electronic properties of quasi-one-dimensional MOS2 nanowires. Journal of Materials Research. 28: 240-249. PMID 25429189 DOI: 10.1557/Jmr.2012.355  0.374
2013 Caruso F, Rohr DR, Hellgren M, Ren X, Rinke P, Rubio A, Scheffler M. Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory. Physical Review Letters. 110: 146403. PMID 25167014 DOI: 10.1103/Physrevlett.110.146403  0.345
2013 Azani MR, Paz AP, Hermosa C, Givaja G, Gómez-Herrero J, Mas-Ballesté R, Zamora F, Rubio A. The isolation of single MMX chains from solution: unravelling the assembly-disassembly process. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 15518-29. PMID 24115090 DOI: 10.1002/Chem.201301450  0.355
2013 Attaccalite C, Wirtz L, Marini A, Rubio A. Efficient gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible. Scientific Reports. 3: 2698. PMID 24060843 DOI: 10.1038/Srep02698  0.314
2013 Migani A, Mowbray DJ, Iacomino A, Zhao J, Petek H, Rubio A. Level alignment of a prototypical photocatalytic system: methanol on TiO2(110). Journal of the American Chemical Society. 135: 11429-32. PMID 23865780 DOI: 10.1021/Ja4036994  0.329
2013 Tang P, Chen P, Wu J, Kang F, Li J, Rubio A, Duan W. Metallicity retained by covalent functionalization of graphene with phenyl groups. Nanoscale. 5: 7537-43. PMID 23836075 DOI: 10.1039/C3Nr01572F  0.313
2013 Houmøller J, Wanko M, Støchkel K, Rubio A, Brøndsted Nielsen S. On the effect of a single solvent molecule on the charge-transfer band of a donor-acceptor anion. Journal of the American Chemical Society. 135: 6818-21. PMID 23611585 DOI: 10.1021/Ja4025275  0.317
2013 De Giovannini U, Brunetto G, Castro A, Walkenhorst J, Rubio A. Simulating pump-probe photoelectron and absorption spectroscopy on the attosecond timescale with time-dependent density functional theory. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 1363-76. PMID 23520148 DOI: 10.1002/Cphc.201201007  0.372
2013 Hogan C, Palummo M, Gierschner J, Rubio A. Correlation effects in the optical spectra of porphyrin oligomer chains: exciton confinement and length dependence. The Journal of Chemical Physics. 138: 024312. PMID 23320688 DOI: 10.1063/1.4773582  0.358
2013 Caruso F, Rinke P, Ren X, Rubio A, Scheffler M. Self-consistent GW: All-electron implementation with localized basis functions Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.075105  0.402
2013 Pavlyukh Y, Berakdar J, Rubio A. Initial stage of quasiparticle decay in fermionic systems Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.125101  0.331
2013 Fuks JI, Farzanehpour M, Tokatly IV, Appel H, Kurth S, Rubio A. Time-dependent exchange-correlation functional for a Hubbard dimer: Quantifying nonadiabatic effects Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/Physreva.88.062512  0.339
2013 Franco I, Rubio A, Brumer P. Long-lived oscillatory incoherent electron dynamics in molecules: Trans-polyacetylene oligomers New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/4/043004  0.381
2013 Roth F, Cudazzo P, Mahns B, Gatti M, Bauer J, Hampel S, Nohr M, Berger H, Knupfer M, Rubio A. Loss spectroscopy of molecular solids: Combining experiment and theory New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/12/125024  0.349
2013 Cudazzo P, Gatti M, Rubio A. Local-field effects on the plasmon dispersion of two-dimensional transition metal dichalcogenides New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/12/125005  0.304
2013 Akbari A, March NH, Rubio A, Angilella GGN, Pucci R. Recent progress in low-order density matrix theory of inhomogeneous electron liquids by exact solution of two- and four-electron model atoms Physics and Chemistry of Liquids. 51: 1-9. DOI: 10.1080/00319104.2013.753506  0.373
2013 Larsen AH, De Giovannini U, Whitenack DL, Wasserman A, Rubio A. Stark ionization of atoms and molecules within density functional resonance theory Journal of Physical Chemistry Letters. 4: 2734-2738. DOI: 10.1021/Jz401110H  0.36
2013 Stella L, Zhang P, García-Vidal FJ, Rubio A, García-González P. Performance of nonlocal optics when applied to plasmonic nanostructures Journal of Physical Chemistry C. 117: 8941-8949. DOI: 10.1021/Jp401887Y  0.354
2013 Pickup DF, Zegkinoglou I, Ballesteros B, Ganivet CR, García-Lastra JM, Cook PL, Johnson PS, Rogero C, De Groot F, Rubio A, De La Torre G, Ortega JE, Himpsel FJ. Influence of axial and peripheral ligands on the electronic structure of titanium phthalocyanines Journal of Physical Chemistry C. 117: 4410-4420. DOI: 10.1021/Jp3117853  0.367
2013 Himpsel FJ, Cook PL, De La Torre G, Garcia-Lastra JM, Gonzalez-Moreno R, Guo JH, Hamers RJ, Kronawitter CX, Johnson PS, Ortega JE, Pickup D, Ragoussi ME, Rogero C, Rubio A, Ruther RE, et al. Design of solar cell materials via soft X-ray spectroscopy Journal of Electron Spectroscopy and Related Phenomena. 190: 2-11. DOI: 10.1016/J.Elspec.2012.10.002  0.328
2013 De Giovannini U, Brunetto G, Castro A, Walkenhorst J, Rubio A. Inside Cover: Simulating Pump-Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional Theory (ChemPhysChem 7/2013) Chemphyschem. 14: 1298-1298. DOI: 10.1002/Cphc.201390032  0.331
2013 Chiodo L, Iacomino A, Palummo M, Rubio A. Titania nanostructures electronic and optical response Handbook of Functional Nanomaterials. 2: 135-154.  0.493
2012 Elliott P, Fuks JI, Rubio A, Maitra NT. Universal dynamical steps in the exact time-dependent exchange-correlation potential. Physical Review Letters. 109: 266404. PMID 23368591 DOI: 10.1103/Physrevlett.109.266404  0.358
2012 Zhang H, Miyamoto Y, Rubio A. Ab initio simulation of helium-ion microscopy images: the case of suspended graphene. Physical Review Letters. 109: 265505. PMID 23368582 DOI: 10.1103/Physrevlett.109.265505  0.311
2012 Alonso JL, Castro A, Clemente-Gallardo J, Echenique P, Mazo JJ, Polo V, Rubio A, Zueco D. Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules Journal of Chemical Physics. 137. PMID 23249070 DOI: 10.1063/1.4747699  0.349
2012 Wanko M, Houmøller J, Støchkel K, Suhr Kirketerp MB, Petersen MÅ, Nielsen MB, Nielsen SB, Rubio A. Substitution effects on the absorption spectra of nitrophenolate isomers. Physical Chemistry Chemical Physics : Pccp. 14: 12905-11. PMID 22898867 DOI: 10.1039/C2Cp41636K  0.325
2012 Miyamoto Y, Zhang H, Rubio A. Pulse-induced nonequilibrium dynamics of acetylene inside carbon nanotube studied by an ab initio approach. Proceedings of the National Academy of Sciences of the United States of America. 109: 8861-5. PMID 22615352 DOI: 10.1073/Pnas.1204388109  0.346
2012 Andrade X, Alberdi-Rodriguez J, Strubbe DA, Oliveira MJ, Nogueira F, Castro A, Muguerza J, Arruabarrena A, Louie SG, Aspuru-Guzik A, Rubio A, Marques MA. Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 233202. PMID 22562950 DOI: 10.1088/0953-8984/24/23/233202  0.752
2012 Schuster C, Gatti M, Rubio A. Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods The European Physical Journal B. 85. DOI: 10.1140/Epjb/E2012-30384-7  0.344
2012 Cudazzo P, Gatti M, Rubio A. Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene Physical Review B. 86. DOI: 10.1103/Physrevb.86.195307  0.383
2012 Caruso F, Rinke P, Ren X, Scheffler M, Rubio A. Unified description of ground and excited states of finite systems: The self-consistent GW approach Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.081102  0.365
2012 Song L, Balicas L, Mowbray DJ, Capaz RB, Storr K, Ci L, Jariwala D, Kurth S, Louie SG, Rubio A, Ajayan PM. Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.075429  0.49
2012 Cudazzo P, Gatti M, Rubio A. Plasmon dispersion in layered transition-metal dichalcogenides Physical Review B. 86. DOI: 10.1103/Physrevb.86.075121  0.326
2012 Akbari A, Hashemi MJ, Rubio A, Nieminen RM, Van Leeuwen R. Challenges in truncating the hierarchy of time-dependent reduced density matrices equations Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.235121  0.369
2012 Iori F, Gatti M, Rubio A. Role of nonlocal exchange in the electronic structure of correlated oxides Physical Review B. 85. DOI: 10.1103/Physrevb.85.115129  0.362
2012 De Giovannini U, Varsano D, Marques MAL, Appel H, Gross EKU, Rubio A. Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 85. DOI: 10.1103/Physreva.85.062515  0.376
2012 Sharma S, Dewhurst JK, Sanna A, Rubio A, Gross EKU. Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer New Journal of Physics. 14. DOI: 10.1088/1367-2630/14/5/053052  0.339
2012 Palummo M, Giorgi G, Chiodo L, Rubio A, Yamashita K. The nature of radiative transitions in TiO 2-based nanosheets Journal of Physical Chemistry C. 116: 18495-18503. DOI: 10.1021/Jp304618N  0.599
2012 Cabellos JL, Mowbray DJ, Goiri E, El-Sayed A, Floreano L, de Oteyza DG, Rogero C, Ortega JE, Rubio A. Understanding Charge Transfer in Donor–Acceptor/Metal Systems: A Combined Theoretical and Experimental Study The Journal of Physical Chemistry C. 116: 17991-18001. DOI: 10.1021/Jp3004213  0.326
2012 El-Sayed A, Mowbray DJ, García-Lastra JM, Rogero C, Goiri E, Borghetti P, Turak A, Doyle BP, Dell'Angela M, Floreano L, Wakayama Y, Rubio A, Ortega JE, De Oteyza DG. Supramolecular environment-dependent electronic properties of metal-Organic interfaces Journal of Physical Chemistry C. 116: 4780-4785. DOI: 10.1021/Jp211749G  0.33
2012 Malloci G, Chiodo L, Rubio A, Mattoni A. Structural and optoelectronic properties of unsaturated ZnO and ZnS nanoclusters Journal of Physical Chemistry C. 116: 8741-8746. DOI: 10.1021/Jp209756Z  0.59
2012 Akbari A, Amovilli C, March NH, Rubio A. Four electrons interacting pairwise in the limit of infinitesimal confining potentials: Especially the quintet spin state Chemical Physics Letters. 536: 162-164. DOI: 10.1016/J.Cplett.2012.03.098  0.328
2012 Akbari A, March NH, Rubio A. A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms Journal of Mathematical Chemistry. 51: 763-773. DOI: 10.1007/S10910-012-0113-8  0.321
2011 Chiodo L, Salazar M, Romero AH, Laricchia S, Sala FD, Rubio A. Structure, electronic, and optical properties of TiO 2 atomic clusters: An ab initio study Journal of Chemical Physics. 135. PMID 22225178 DOI: 10.1063/1.3668085  0.621
2011 García-Lastra JM, Cook PL, Himpsel FJ, Rubio A. Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins. The Journal of Chemical Physics. 133: 151103. PMID 20969361 DOI: 10.1063/1.3497188  0.344
2011 March NH, Rubio A. Structural and Electronic Properties of Low-Dimensional C-Nanoassemblies and Possible Analogues for Si (and Ge) Journal of Nanomaterials. 2011: 1-9. DOI: 10.1155/2011/932350  0.344
2011 Cudazzo P, Tokatly IV, Rubio A. Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane Physical Review B. 84. DOI: 10.1103/Physrevb.84.085406  0.357
2011 Fuks JI, Helbig N, Tokatly IV, Rubio A. Nonlinear phenomena in time-dependent density-functional theory: What Rabi oscillations can teach us Physical Review B. 84: 75107. DOI: 10.1103/Physrevb.84.075107  0.345
2011 Attaccalite C, Bockstedte M, Marini A, Rubio A, Wirtz L. Coupling of excitons and defect states in boron-nitride nanostructures Physical Review B. 83: 144115. DOI: 10.1103/Physrevb.83.144115  0.335
2011 Galambosi S, Wirtz L, Soininen JA, Serrano J, Marini A, Watanabe K, Taniguchi T, Huotari S, Rubio A, Hamalainen K. Anisotropic excitonic effects in the energy loss function of hexagonal boron nitride Physical Review B. 83: 81413. DOI: 10.1103/Physrevb.83.081413  0.333
2011 Siu W, Kelkensberg F, Gademann G, Rouzée A, Johnsson P, Dowek D, Lucchini M, Calegari F, De Giovannini U, Rubio A, Lucchese RR, Kono H, Lépine F, Vrakking MJJ. Attosecond control of dissociative ionization of O2molecules Physical Review A. 84. DOI: 10.1103/Physreva.84.063412  0.312
2011 Fuks JI, Rubio A, Maitra NT. Charge transfer in time-dependent density-functional theory via spin-symmetry breaking Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/Physreva.83.042501  0.363
2011 Helbig N, Fuks JI, Casula M, Verstraete MJ, Marques MAL, Tokatly IV, Rubio A. Density functional theory beyond the linear regime: Validating an adiabatic local density approximation Physical Review A. 83: 32503. DOI: 10.1103/Physreva.83.032503  0.334
2011 Helbig N, Fuks JI, Tokatly IV, Appel H, Gross EKU, Rubio A. Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations Chemical Physics. 391: 1-10. DOI: 10.1016/J.Chemphys.2011.06.010  0.375
2011 Huix-Rotllant M, Ipatov A, Rubio A, Casida ME. Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores Chemical Physics. 391: 120-129. DOI: 10.1016/J.Chemphys.2011.03.019  0.343
2011 Chiodo L, Massaro A, Cingolani R, Romero A, Rubio A. Characterization of TiO2 atomic crystals for nanocomposite materials oriented to optoelectronics Proceedings of the International Conference On Numerical Simulation of Optoelectronic Devices, Nusod. 157-158. DOI: 10.1007/S11082-012-9559-Y  0.601
2010 Sakko A, Rubio A, Hakala M, Hämäläinen K. Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules. The Journal of Chemical Physics. 133: 174111. PMID 21054010 DOI: 10.1063/1.3503594  0.389
2010 Bockstedte M, Marini A, Pankratov O, Rubio A. Many-body effects in the excitation spectrum of a defect in SiC. Physical Review Letters. 105: 026401. PMID 20867720 DOI: 10.1103/Physrevlett.105.026401  0.346
2010 Cudazzo P, Attaccalite C, Tokatly IV, Rubio A. Strong charge-transfer excitonic effects and the Bose-Einstein exciton condensate in graphane. Physical Review Letters. 104: 226804. PMID 20867194 DOI: 10.1103/Physrevlett.104.226804  0.368
2010 Gatti M, Tokatly IV, Rubio A. Sodium: a charge-transfer insulator at high pressures. Physical Review Letters. 104: 216404. PMID 20867123 DOI: 10.1103/Physrevlett.104.216404  0.309
2010 Vila FD, Strubbe DA, Takimoto Y, Andrade X, Rubio A, Louie SG, Rehr JJ. Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids. The Journal of Chemical Physics. 133: 034111. PMID 20649312 DOI: 10.1063/1.3457362  0.715
2010 Attaccalite C, Wirtz L, Lazzeri M, Mauri F, Rubio A. Doped graphene as tunable electron-phonon coupling material. Nano Letters. 10: 1172-6. PMID 20222744 DOI: 10.1021/Nl9034626  0.33
2010 Ayala P, Arenal R, Loiseau A, Rubio A, Pichler T. The physical and chemical properties of heteronanotubes Reviews of Modern Physics. 82: 1843-1885. DOI: 10.1103/Revmodphys.82.1843  0.335
2010 Chiodo L, García-Lastra JM, Iacomino A, Ossicini S, Zhao J, Petek H, Rubio A. Self-energy and excitonic effects in the electronic and optical properties of TiO2 crystalline phases Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.045207  0.594
2010 García-Lastra JM, Mowbray DJ, Thygesen KS, Rubio A, Jacobsen KW. Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.245429  0.307
2010 Helbig N, Tokatly IV, Rubio A. Physical meaning of the natural orbitals: Analysis of exactly solvable models Physical Review A. 81: 22504. DOI: 10.1103/Physreva.81.022504  0.339
2010 Alonso JL, Castro A, Echenique P, Polo V, Rubio A, Zueco D. Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution New Journal of Physics. 12. DOI: 10.1088/1367-2630/12/8/083064  0.335
2010 Roth F, Gatti M, Cudazzo P, Grobosch M, Mahns B, Büchner B, Rubio A, Knupfer M. Electronic properties of molecular solids: The peculiar case of solid picene New Journal of Physics. 12. DOI: 10.1088/1367-2630/12/10/103036  0.339
2010 Blauwe KD, Miyata Y, Ayala P, Shiozawa H, Mowbray DJ, Rubio A, Hoffmann P, Kataura H, Pichler T. A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubes Physica Status Solidi (B). 247: 2875-2879. DOI: 10.1002/Pssb.201000373  0.382
2009 Andrade X, Castro A, Zueco D, Alonso JL, Echenique P, Falceto F, Rubio Á. Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics. Journal of Chemical Theory and Computation. 5: 728-742. PMID 26609578 DOI: 10.1021/Ct800518J  0.687
2009 Helbig N, Tokatly IV, Rubio A. Exact Kohn-Sham potential of strongly correlated finite systems. Journal of Chemical Physics. 131: 224105-224105. PMID 20001022 DOI: 10.1063/1.3271392  0.366
2009 Oliveira MJ, Nogueira F, Marques MA, Rubio A. Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory. The Journal of Chemical Physics. 131: 214302. PMID 19968343 DOI: 10.1063/1.3265767  0.387
2009 Palummo M, Hogan C, Sottile F, Bagalá P, Rubio A. Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation. The Journal of Chemical Physics. 131: 084102. PMID 19725603 DOI: 10.1063/1.3204938  0.395
2009 Varsano D, Espinosa-Leal LA, Andrade X, Marques MA, di Felice R, Rubio A. Towards a gauge invariant method for molecular chiroptical properties in TDDFT. Physical Chemistry Chemical Physics : Pccp. 11: 4481-9. PMID 19475166 DOI: 10.1039/B903200B  0.699
2009 Rubio A, Marques M. Time-dependent density-functional theory. Physical Chemistry Chemical Physics : Pccp. 11: 4436. PMID 19475160 DOI: 10.1039/B908105B  0.308
2009 Thygesen KS, Rubio A. Renormalization of molecular quasiparticle levels at metal-molecule interfaces: trends across binding regimes. Physical Review Letters. 102: 046802. PMID 19257455 DOI: 10.1103/Physrevlett.102.046802  0.334
2009 Garcia-Lastra JM, Rostgaard C, Rubio A, Thygesen KS. Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces Physical Review B. 80. DOI: 10.1103/Physrevb.80.245427  0.387
2009 Gruneis A, Serrano J, Bosak A, Lazzeri M, Molodtsov SL, Wirtz L, Attaccalite C, Krisch M, Rubio A, Mauri F, Pichler T. Phonon surface mapping of graphite: Disentangling quasi-degenerate phonon dispersions Physical Review B. 80. DOI: 10.1103/Physrevb.80.085423  0.348
2009 Grüneis A, Attaccalite C, Rubio A, Vyalikh DV, Molodtsov SL, Fink J, Follath R, Eberhardt W, Büchner B, Pichler T. Angle-resolved photoemission study of the graphite intercalation compound KC8: A key to graphene Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.075431  0.331
2009 Grüneis A, Attaccalite C, Rubio A, Vyalikh DV, Molodtsov SL, Fink J, Follath R, Eberhardt W, Büchner B, Pichler T. Electronic structure and electron-phonon coupling of doped graphene layers inKC8 Physical Review B. 79. DOI: 10.1103/Physrevb.79.205106  0.361
2009 Gavnholt J, Rubio A, Olsen T, Thygesen KS, Schiøtz J. Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach Physical Review B. 79: 195405. DOI: 10.1103/Physrevb.79.195405  0.306
2009 Akbari A, March NH, Rubio A. Density-matrix theory for the ground state of spin-compensated harmonically confined two-electron model atoms with general interparticle repulsion Physical Review A. 80. DOI: 10.1103/Physreva.80.032509  0.347
2009 Varsano D, Espinosa-Leal LA, Andrade X, Marques MAL, Di Felice R, Rubio A. Towards a gauge invariant method for molecular chiroptical properties in TDDFT Physical Chemistry Chemical Physics. 11: 4481-4489. DOI: 10.1039/b903200b  0.621
2009 Spallanzani N, Rozzi CA, Varsano D, Baruah T, Pederson MR, Manghi F, Rubio A. Photoexcitation of a light-harvesting supramolecular triad: A time-dependent DFT study Journal of Physical Chemistry B. 113: 5345-5349. DOI: 10.1021/Jp900820Q  0.403
2009 Bovensiepen U, Gahl C, Stähler J, Bockstedte M, Meyer M, Baletto F, Scandolo S, Zhu XY, Rubio A, Wolf M. A dynamic landscape from femtoseconds to minutes for excess electrons at ice - metal interfaces Journal of Physical Chemistry C. 113: 979-988. DOI: 10.1021/Jp806997D  0.362
2009 Castro A, Marques MA, Varsano D, Sottile F, Rubio A. The challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory? Comptes Rendus Physique. 10: 469-490. DOI: 10.1016/J.Crhy.2008.09.001  0.369
2009 De Oteyza DG, García-Lastra JM, Corso M, Doyle BP, Floreano L, Morgante A, Wakayama Y, Rubio A, Ortega JE. Customized electronic coupling in self-assembled donor-acceptor nanostructures Advanced Functional Materials. 19: 3567-3573. DOI: 10.1002/Adfm.200901374  0.318
2008 García-Lastra JM, Thygesen KS, Strange M, Rubio A. Conductance of sidewall-functionalized carbon nanotubes: universal dependence on adsorption sites. Physical Review Letters. 101: 236806. PMID 19113580 DOI: 10.1103/Physrevlett.101.236806  0.304
2008 Oliveira MJ, Castro A, Marques MA, Rubio A. On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures. Journal of Nanoscience and Nanotechnology. 8: 3392-8. PMID 19051885 DOI: 10.1166/Jnn.2008.142  0.308
2008 Castro A, Marques MA, Romero AH, Oliveira MJ, Rubio A. The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures. The Journal of Chemical Physics. 129: 144110. PMID 19045137 DOI: 10.1063/1.2990745  0.313
2008 Alonso JL, Andrade X, Echenique P, Falceto F, Prada-Gracia D, Rubio A. Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory. Physical Review Letters. 101: 096403. PMID 18851630 DOI: 10.1103/Physrevlett.101.096403  0.696
2008 Varsano D, Marini A, Rubio A. Optical saturation driven by exciton confinement in molecular chains: a time-dependent density-functional theory approach. Physical Review Letters. 101: 133002. PMID 18851443 DOI: 10.1103/Physrevlett.101.133002  0.369
2008 Grüneis A, Attaccalite C, Pichler T, Zabolotnyy V, Shiozawa H, Molodtsov SL, Inosov D, Koitzsch A, Knupfer M, Schiessling J, Follath R, Weber R, Rudolf P, Wirtz L, Rubio A. Electron-electron correlation in graphite: a combined angle-resolved photoemission and first-principles study. Physical Review Letters. 100: 037601. PMID 18233036 DOI: 10.1103/Physrevlett.100.037601  0.388
2008 Bockstedte M, Marini A, Gali A, Pankratov O, Rubio A. Defects Identified in SiC and Their Implications Materials Science Forum. 285-290. DOI: 10.4028/Www.Scientific.Net/Msf.600-603.285  0.308
2008 Garcia AG, Baltazar SE, Castro AHR, Robles JFP, Rubio A. Influence of S and P Doping in a Graphene Sheet Journal of Computational and Theoretical Nanoscience. 5: 2221-2229. DOI: 10.1166/Jctn.2008.1123  0.352
2008 Marinopoulos AG, Reining L, Rubio A. Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.235428  0.367
2008 Botti S, Castro A, Andrade X, Rubio A, Marques MAL. Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.035333  0.671
2008 Ishioka K, Hase M, Kitajima M, Wirtz L, Rubio A, Petek H. Ultrafast electron-phonon decoupling in graphite Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.121402  0.366
2008 Thygesen KS, Rubio A. ConservingGWscheme for nonequilibrium quantum transport in molecular contacts Physical Review B. 77. DOI: 10.1103/Physrevb.77.115333  0.368
2008 Räsänen E, Castro A, Werschnik J, Rubio A, Gross EKU. Optimal laser control of double quantum dots Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.085324  0.346
2008 Stefanucci G, Kurth S, Rubio A, Gross EKU. Time-dependent approach to electron pumping in open quantum systems Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.075339  0.389
2008 Flores F, Biel B, Rubio A, Garcia-Vidal FJ, Gomez-Navarro C, de Pablo P, Gomez-Herrero J. Anderson localization regime in carbon nanotubes: size dependent properties Journal of Physics: Condensed Matter. 20: 304211. DOI: 10.1088/0953-8984/20/30/304211  0.312
2008 Biel B, García-Vidal FJ, Rubio A, Flores F. Ab initio study of transport properties in defected carbon nanotubes: An O(N) approach Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/29/294214  0.319
2008 Grüneis A, Attaccalite C, Rubio A, Molodtsov SL, Vyalikh DV, Fink J, Follath R, Pichler T. Preparation and electronic properties of potassium doped graphite single crystals Physica Status Solidi (B). 245: 2072-2076. DOI: 10.1002/Pssb.200879662  0.323
2007 García-González P, Fernández JJ, Marini A, Rubio A. Advanced correlation functionals: application to bulk materials and localized systems. The Journal of Physical Chemistry. A. 111: 12458-65. PMID 17929905 DOI: 10.1021/Jp0746998  0.396
2007 Andrade X, Botti S, Marques MA, Rubio A. Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities. The Journal of Chemical Physics. 126: 184106. PMID 17508791 DOI: 10.1063/1.2733666  0.712
2007 Thygesen KS, Rubio A. Nonequilibrium GW approach to quantum transport in nano-scale contacts. The Journal of Chemical Physics. 126: 091101. PMID 17362093 DOI: 10.1063/1.2565690  0.339
2007 Serrano J, Bosak A, Arenal R, Krisch M, Watanabe K, Taniguchi T, Kanda H, Rubio A, Wirtz L. Vibrational properties of hexagonal boron nitride: inelastic X-ray scattering and ab initio calculations. Physical Review Letters. 98: 095503. PMID 17359168 DOI: 10.1103/Physrevlett.98.095503  0.316
2007 Kadantsev ES, Stott MJ, Rubio A. Electronic structure and excitations in oligoacenes from ab initio calculations. The Journal of Chemical Physics. 124: 134901. PMID 16613471 DOI: 10.1063/1.2186999  0.412
2007 Holas A, March NH, Rubio A. Differential virial theorem in relation to a sum rule for the exchange-correlation force in density-functional theory. The Journal of Chemical Physics. 123: 194104. PMID 16321073 DOI: 10.1063/1.2114848  0.302
2007 Andrade X, Botti S, Marques MAL, Rubio A. Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities Journal of Chemical Physics. 126. DOI: 10.1063/1.2733666  0.657
2007 March NH, Akbari A, Rubio A. Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement Physics Letters A. 370: 509-511. DOI: 10.1016/J.Physleta.2007.05.097  0.304
2007 Grüneis A, Pichler T, Shiozawa H, Attaccalite C, Wirtz L, Molodtsov SL, Follath R, Weber R, Rubio A. Low energy quasiparticle dispersion of graphite by angle-resolved photoemission spectroscopy Physica Status Solidi (B). 244: 4129-4133. DOI: 10.1002/Pssb.200776107  0.358
2006 Miyamoto Y, Rubio A, Tománek D. Real-time ab initio simulations of excited carrier dynamics in carbon nanotubes. Physical Review Letters. 97: 126104. PMID 17025983 DOI: 10.1103/Physrevlett.97.126104  0.377
2006 Martínez JI, Castro A, Rubio A, Alonso JA. Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory. Journal of Chemical Physics. 125: 74311-74311. PMID 16942343 DOI: 10.1063/1.2263732  0.388
2006 Scifo L, Dubois M, Brun ME, Rannou P, Latil S, Rubio A, Grévin B. Probing the electronic properties of self-organized poly(3-dodecylthiophene) monolayers by two-dimensional scanning tunneling spectroscopy imaging at the single chain scale. Nano Letters. 6: 1711-8. PMID 16895361 DOI: 10.1021/Nl061018W  0.34
2006 Dubois M, Latil S, Scifo L, Grévin B, Rubio A. Scanning tunneling spectroscopy simulations of poly(3-dodecylthiophene) chains adsorbed on highly oriented pyrolytic graphite. The Journal of Chemical Physics. 125: 34708. PMID 16863374 DOI: 10.1063/1.2216690  0.384
2006 Marini A, García-González P, Rubio A. First-principles description of correlation effects in layered materials. Physical Review Letters. 96: 136404. PMID 16712011 DOI: 10.1103/Physrevlett.96.136404  0.321
2006 Grüning M, Marini A, Rubio A. Density functionals from many-body perturbation theory: the band gap for semiconductors and insulators. The Journal of Chemical Physics. 124: 154108. PMID 16674219 DOI: 10.1063/1.2189226  0.374
2006 Dobson JF, White A, Rubio A. Asymptotics of the dispersion interaction: analytic benchmarks for van der Waals energy functionals. Physical Review Letters. 96: 073201. PMID 16606085 DOI: 10.1103/Physrevlett.96.073201  0.342
2006 Wirtz L, Marini A, Rubio A. Excitons in boron nitride nanotubes: dimensionality effects. Physical Review Letters. 96: 126104. PMID 16605932 DOI: 10.1103/Physrevlett.96.126104  0.351
2006 Varsano D, Di Felice R, Marques MA, Rubio A. A TDDFT study of the excited states of DNA bases and their assemblies. The Journal of Physical Chemistry. B. 110: 7129-38. PMID 16599476 DOI: 10.1021/Jp056120G  0.345
2006 Rozzi CA, Varsano D, Marini A, Gross EKU, Rubio A. Exact Coulomb cutoff technique for supercell calculations Physical Review B. 73. DOI: 10.1103/Physrevb.73.205119  0.342
2006 Marini A, Del Sole R, Rubio A. Optical properties of solids and Nanostructures from a many-body fxc kernel Lecture Notes in Physics. 706: 301-316. DOI: 10.1007/3-540-35426-3_20  0.63
2006 Felice RD, Calzolari A, Varsano D, Rubio A. Electronic Structure Calculations for Nanomolecular Systems Lecture Notes in Physics. 680: 77-116. DOI: 10.1007/3-540-31514-4_4  0.401
2006 Castro A, Appel H, Oliveira M, Rozzi CA, Andrade X, Lorenzen F, Marques MAL, Gross EKU, Rubio A. Octopus: A tool for the application of time-dependent density functional theory Physica Status Solidi (B) Basic Research. 243: 2465-2488. DOI: 10.1002/Pssb.200642067  0.703
2005 Lopez X, Marques MA, Castro A, Rubio A. Optical absorption of the blue fluorescent protein: a first-principles study. Journal of the American Chemical Society. 127: 12329-37. PMID 16131211 DOI: 10.1021/Ja050935L  0.322
2005 Gómez-Navarro C, de Pablo PJ, Gómez-Herrero J, Biel B, Garcia-Vidal FJ, Rubio A, Flores F. Tuning the conductance of single-walled carbon nanotubes by ion irradiation in the Anderson localization regime. Nature Materials. 4: 534-9. PMID 15965479 DOI: 10.1038/Nmat1414  0.3
2005 Kurth S, Stefanucci G, Almbladh CO, Rubio A, Gross EKU. Time-dependent quantum transport: A practical scheme using density functional theory Physical Review B. 72: 35308. DOI: 10.1103/Physrevb.72.035308  0.377
2005 Sottile F, Bruneval F, Marinopoulos AG, Dash LK, Botti S, Olevano V, Vast N, Rubio A, Reining L. TDDFT from molecules to solids: The role of long-range interactions International Journal of Quantum Chemistry. 102: 684-701. DOI: 10.1002/Qua.20486  0.38
2004 Delaney K, García-González P, Rubio A, Rinke P, Godby RW. Comment on "band-gap problem in semiconductors revisited: effects of core States and many-body self-consistency". Physical Review Letters. 93: 249701; author reply. PMID 15697871 DOI: 10.1103/Physrevlett.93.249701  0.368
2004 Castro A, Marques MA, Rubio A. Propagators for the time-dependent Kohn-Sham equations. The Journal of Chemical Physics. 121: 3425-33. PMID 15303905 DOI: 10.1063/1.1774980  0.31
2004 Castro A, Marques MAL, Alonso JA, Bertsch GF, Rubio A. Excited states dynamics in time-dependent density functional theory. High-field molecular dissociation and harmonic generation European Physical Journal D. 28: 211-218. DOI: 10.1140/Epjd/E2003-00306-3  0.353
2004 Alonso JA, Arellano JS, Molina LM, Rubio A, Lopez MJ. Interaction of molecular and atomic hydrogen with single-wall carbon nanotubes Ieee Transactions On Nanotechnology. 3: 304-310. DOI: 10.1109/Tnano.2004.828678  0.329
2004 Marini A, Rubio A. Electron linewidths of wide-gap insulators: Excitonic effects in LiF Physical Review B - Condensed Matter and Materials Physics. 70. DOI: 10.1103/Physrevb.70.081103  0.382
2004 Marinopoulos AG, Reining L, Rubio A, Olevano V. Ab initio study of the optical absorption and wave-vector-dependent dielectric response of graphite Physical Review B - Condensed Matter and Materials Physics. 69: 245419-1-245419-12. DOI: 10.1103/Physrevb.69.245419  0.368
2004 Fuentes GG, Borowiak-Palen E, Knupfer M, Pichler T, Fink J, Wirtz L, Rubio A. Formation and electronic properties ofBC3single-wall nanotubes upon boron substitution of carbon nanotubes Physical Review B. 69. DOI: 10.1103/Physrevb.69.245403  0.392
2004 Botti S, Sottile F, Vast N, Olevano V, Reining L, Weissker HC, Rubio A, Onida G, Del Sole R, Godby RW. Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory Physical Review B - Condensed Matter and Materials Physics. 69: 155112-1-155112-14. DOI: 10.1103/Physrevb.69.155112  0.608
2004 Vitali L, Schneider MA, Kern K, Wirtz L, Rubio A. Phonon and plasmon excitation in inelastic electron tunneling spectroscopy of graphite Physical Review B. 69: 121414. DOI: 10.1103/Physrevb.69.121414  0.376
2004 Miyamoto Y, Rubio A, Berber S, Yoon M, Tománek D. Spectroscopic characterization of Stone-Wales defects in nanotubes Physical Review B. 69. DOI: 10.1103/Physrevb.69.121413  0.314
2004 Mugarza A, Marini A, Strasser T, Schattke W, Rubio A, Abajo FJGd, Lobo J, Michel EG, Kuntze J, Ortega JE. Accurate band mapping via photoemission from thin films Physical Review B. 69: 115422. DOI: 10.1103/Physrevb.69.115422  0.32
2004 Serrano J, Romero AH, Manjón FJ, Lauck R, Cardona M, Rubio A. Pressure dependence of the lattice dynamics of ZnO: An ab initio approach Physical Review B - Condensed Matter and Materials Physics. 69: 943061-9430614. DOI: 10.1103/Physrevb.69.094306  0.364
2004 Marques MAL, Troiani HE, Miki-Yoshida M, Jose-Yacaman M, Rubio A. On the breaking of carbon nanotubes under tension Nano Letters. 4: 811-815. DOI: 10.1021/Nl049839T  0.301
2004 Wirtz L, Rubio A. The phonon dispersion of graphite revisited Solid State Communications. 131: 141-152. DOI: 10.1016/J.Ssc.2004.04.042  0.35
2004 Martínez JI, Castro A, Rubio A, Poblet JM, Alonso JA. Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars Chemical Physics Letters. 398: 292-296. DOI: 10.1016/J.Cplett.2004.09.058  0.367
2004 March NH, Rubio A. Change in analytic structure of first-order density matrix as a functional of electron density due to inter-particle correlation: a two-electron model example Chemical Physics Letters. 398: 445-448. DOI: 10.1016/J.Cplett.2004.08.043  0.316
2004 Miyamoto Y, Berber S, Yoon M, Rubio A, Tománek D. Can photo excitations heal defects in carbon nanotubes? Chemical Physics Letters. 392: 209-213. DOI: 10.1016/J.Cplett.2004.05.070  0.362
2004 Varsano D, Marques M, Rubio A. Time and energy-resolved two photon photoemission of the Cu(100) and Cu(111) metal surfaces Computational Materials Science. 30: 110-115. DOI: 10.1016/J.Commatsci.2004.01.017  0.326
2004 Marinopoulos AG, Wirtz L, Marini A, Olevano V, Rubio A, Reining L. Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: A first-principles approach Applied Physics a: Materials Science and Processing. 78: 1157-1167. DOI: 10.1007/S00339-003-2467-Z  0.407
2003 Marini A, Del Sole R, Rubio A. Bound excitons in time-dependent density-functional theory: optical and energy-loss spectra. Physical Review Letters. 91: 256402. PMID 14754131 DOI: 10.1103/Physrevlett.91.256402  0.593
2003 Marinopoulos AG, Reining L, Rubio A, Vast N. Optical and loss spectra of carbon nanotubes: depolarization effects and intertube interactions. Physical Review Letters. 91: 046402. PMID 12906680 DOI: 10.1103/Physrevlett.91.046402  0.387
2003 Marques MA, López X, Varsano D, Castro A, Rubio A. Time-dependent density-functional approach for biological chromophores: the case of the green fluorescent protein. Physical Review Letters. 90: 258101. PMID 12857170 DOI: 10.1103/Physrevlett.90.258101  0.372
2003 Castro A, Rubio A, Stott MJ. Solution of Poisson's equation for finite systems using plane-wave methods Canadian Journal of Physics. 81: 1151-1164. DOI: 10.1139/P03-078  0.301
2003 Alonso JA, Arellano JS, Molina LM, Rubio A, Lopez MJ. Interaction of molecular and atomic hydrogen with single-wall carbon nanotubes Nanotechnology. 5118: 14-21. DOI: 10.1117/12.500133  0.335
2003 Wirtz L, Rubio A, Concha RAdl, Loiseau A. Ab initio calculations of the lattice dynamics of boron nitride nanotubes Physical Review B. 68: 45425. DOI: 10.1103/Physrevb.68.045425  0.304
2003 Alonso JA, March NH, Cordero NA, Rubio A. Correlation energies of light atoms related to pairing between antiparallel spin electrons Journal of Physics B. 36: 2695-2705. DOI: 10.1088/0953-4075/36/13/301  0.313
2003 Marcos PA, Alonso JA, Molina LM, Rubio A, López MJ. Structural and thermal properties of silicon-doped fullerenes The Journal of Chemical Physics. 119: 1127-1135. DOI: 10.1063/1.1568085  0.33
2003 Troiani HE, Miki-Yoshida M, Camacho-Bragado GA, Marques MAL, Rubio A, Ascencio JA, Jose-Yacaman M. Direct Observation of the Mechanical Properties of Single-Walled Carbon Nanotubes and Their Junctions at the Atomic Level Nano Letters. 3: 751-755. DOI: 10.1021/Nl0341640  0.319
2003 Marques MAL, Castro A, Bertsch GF, Rubio A. Octopus: A first-principles tool for excited electron-ion dynamics Computer Physics Communications. 151: 60-78. DOI: 10.1016/S0010-4655(02)00686-0  0.362
2002 Marinopoulos AG, Reining L, Olevano V, Rubio A, Pichler T, Liu X, Knupfer M, Fink J. Anisotropy and interplane interactions in the dielectric response of graphite. Physical Review Letters. 89: 076402. PMID 12190537 DOI: 10.1103/Physrevlett.89.076402  0.395
2002 Reining L, Olevano V, Rubio A, Onida G. Excitonic effects in solids described by time-dependent density-functional theory. Physical Review Letters. 88: 066404. PMID 11863831 DOI: 10.1103/Physrevlett.88.066404  0.381
2002 Aryasetiawan F, Gunnarsson O, Rubio A. Excitation energies from time-dependent density-functional formalism for small systems Europhysics Letters (Epl). 57: 683-689. DOI: 10.1209/Epl/I2002-00517-6  0.32
2002 Onida G, Reining L, Rubio A. Electronic excitations: Density-functional versus many-body Green's-function approaches Reviews of Modern Physics. 74: 601-659. DOI: 10.1103/Revmodphys.74.601  0.415
2002 Marini A, Del Sole R, Rubio A, Onida G. Quasiparticle band-structure effects on thedhole lifetimes of copper within theGWapproximation Physical Review B. 66. DOI: 10.1103/Physrevb.66.161104  0.31
2002 Czerw R, Foley B, Tekleab D, Rubio A, Ajayan PM, Carroll DL. Substrate-interface interactions between carbon nanotubes and the supporting substrate Physical Review B. 66. DOI: 10.1103/Physrevb.66.033408  0.34
2002 Arellano JS, Molina LM, Rubio A, López MJ, Alonso JA. Interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes The Journal of Chemical Physics. 117: 2281-2288. DOI: 10.1063/1.1488595  0.337
2002 Miyamoto Y, Berber S, Yoon M, Rubio A, Tománek D. Onset of nanotube decay under extreme thermal and electronic excitations Physica B: Condensed Matter. 323: 78-85. DOI: 10.1016/S0921-4526(02)00988-2  0.373
2001 Spataru CD, Cazalilla MA, Rubio A, Benedict LX, Echenique PM, Louie SG. Anomalous quasiparticle lifetime in graphite: band structure effects. Physical Review Letters. 87: 246405. PMID 11736524 DOI: 10.1103/Physrevlett.87.246405  0.497
2001 Lammert PE, Crespi VH, Rubio A. Stochastic heterostructures and diodium in B/N-doped carbon nanotubes. Physical Review Letters. 87: 136402. PMID 11580612 DOI: 10.1103/Physrevlett.87.136402  0.544
2001 Dolado JS, Silkin VM, Cazalilla MA, Rubio A, Echenique PM. Lifetimes and mean-free paths of hot electrons in the alkali metals Physical Review B. 64. DOI: 10.1103/Physrevb.64.195128  0.351
2001 Roche S, Triozon F, Rubio A, Mayou D. Conduction mechanisms and magnetotransport in multiwalled carbon nanotubes Physical Review B. 64. DOI: 10.1103/Physrevb.64.121401  0.347
2001 Silkin VM, Balasubramanian T, Chulkov EV, Rubio A, Echenique PM. Surface-state hole decay mechanisms: The Be(0001) surface Physical Review B. 64. DOI: 10.1103/Physrevb.64.085334  0.317
2001 Marques MAL, Castro A, Rubio A. Assessment of exchange-correlation functionals for the calculation of dynamical properties of small clusters in time-dependent density functional theory The Journal of Chemical Physics. 115: 3006-3014. DOI: 10.1063/1.1385368  0.408
2001 Goze Bac C, Bernier P, Latil S, Jourdain V, Rubio A, Jhang S, Lee S, Park Y, Holzinger M, Hirsch A. 13C NMR investigation of carbon nanotubes and derivatives Current Applied Physics. 1: 149-155. DOI: 10.1016/S1567-1739(01)00009-8  0.316
2001 Gurtubay IG, Pitarke JM, Campillo I, Rubio A. Dynamic structure factor of gold Computational Materials Science. 22: 123-128. DOI: 10.1016/S0927-0256(01)00178-1  0.354
2001 March N, Howard I, Nagy I, Rubio A. Pair function at coincidence and ground-state energy for interacting systems of two fermions with isotropic harmonic confinement and antiparallel spins Physics Letters A. 288: 101-104. DOI: 10.1016/S0375-9601(01)00479-0  0.343
2001 Roche S, Triozon F, Rubio A, Mayou D. Electronic conduction in multi-walled carbon nanotubes: role of intershell coupling and incommensurability Physics Letters A. 285: 94-100. DOI: 10.1016/S0375-9601(01)00330-9  0.316
2000 Bertsch GF, Iwata JI, Rubio A, Yabana K. Real-space, real-time method for the dielectric function Physical Review B - Condensed Matter and Materials Physics. 62: 7998-8002. DOI: 10.1103/Physrevb.62.7998  0.353
2000 Lambin P, Meunier V, Rubio A. Electronic structure of polychiral carbon nanotubes Physical Review B. 62: 5129-5135. DOI: 10.1103/Physrevb.62.5129  0.343
2000 Campillo I, Pitarke JM, Rubio A, Echenique PM. Role of occupieddstates in the relaxation of hot electrons in Au Physical Review B. 62: 1500-1503. DOI: 10.1103/Physrevb.62.1500  0.355
2000 Cazalilla MA, Dolado JS, Rubio A, Echenique PM. Plasmonic excitations in noble metals: The case of Ag Physical Review B. 61: 8033-8042. DOI: 10.1103/Physrevb.61.8033  0.347
2000 Campillo I, Silkin VM, Pitarke JM, Chulkov EV, Rubio A, Echenique PM. First-principles calculations of hot-electron lifetimes in metals Physical Review B. 61: 13484-13492. DOI: 10.1103/Physrevb.61.13484  0.366
2000 Hernández E, Ordejón P, Boustani I, Rubio A, Alonso JA. Tight binding molecular dynamics studies of boron assisted nanotube growth Journal of Chemical Physics. 113: 3814-3821. DOI: 10.1063/1.1287906  0.331
2000 Gritsenko OV, Cordero NA, Rubio A, Alonso JA. New perspectives of the weighted spin-density approximation: gradient corrections and the valence-only approach Journal of Molecular Structure-Theochem. 501: 153-166. DOI: 10.1016/S0166-1280(99)00424-8  0.342
2000 Steinbeck L, Rubio A, Reining L, Torrent M, White ID, Godby RW. Enhancements to the GW space-time method Computer Physics Communications. 125: 105-118. DOI: 10.1016/S0010-4655(99)00466-X  0.367
2000 Vaccarini L, Goze C, Henrard L, Hernández E, Bernier P, Rubio A. Mechanical And Electronic Properties Of Carbon And Boron–Nitride Nanotubes Carbon. 38: 1681-1690. DOI: 10.1016/S0008-6223(99)00293-6  0.366
2000 Boustani I, Quandt A, Rubio A. Boron Quasicrystals and Boron Nanotubes: Ab Initio Study of Various B96 Isomers Journal of Solid State Chemistry. 154: 269-274. DOI: 10.1006/Jssc.2000.8848  0.342
1999 Campillo I, Rubio A, Pitarke JM, Echenique PM. First Principles Calculation of the Hot Electron Lifetime in Simple and Noble Metals Mrs Proceedings. 579. DOI: 10.1557/Proc-579-33  0.355
1999 Campillo I, Pitarke JM, Rubio A, Zarate E, Echenique PM. Inelastic Lifetimes of Hot Electrons in Real Metals Physical Review Letters. 83: 2230-2233. DOI: 10.1103/Physrevlett.83.2230  0.368
1999 Rubio A, Sánchez-Portal D, Artacho E, Ordejón P, Soler JM. Electronic States in a Finite Carbon Nanotube: A One-Dimensional Quantum Box Physical Review Letters. 82: 3520-3523. DOI: 10.1103/Physrevlett.82.3520  0.304
1999 Miyamoto Y, Rubio A, Louie SG, Cohen ML. Self-inductance of chiral conducting nanotubes Physical Review B. 60: 13885-13889. DOI: 10.1103/Physrevb.60.13885  0.527
1999 Sánchez-Portal D, Artacho E, Soler JM, Rubio A, Ordejón P. Ab initiostructural, elastic, and vibrational properties of carbon nanotubes Physical Review B. 59: 12678-12688. DOI: 10.1103/Physrevb.59.12678  0.363
1999 Campillo I, Rubio A, Pitarke JM. Ab initio calculations of the dynamical response of copper Physical Review B. 59: 12188-12191. DOI: 10.1103/Physrevb.59.12188  0.368
1999 March NH, Rubio A, Alonso JA. Lowest excitation energy in atoms in the adiabatic approximation related to the single-particle kinetic energy functional Journal of Physics B: Atomic, Molecular and Optical Physics. 32: 2173-2179. DOI: 10.1088/0953-4075/32/9/308  0.358
1999 Boustani I, Quandt A, Hernández E, Rubio A. New boron based nanostructured materials Journal of Chemical Physics. 110: 3176-3185. DOI: 10.1063/1.477976  0.315
1999 Hernández E, Goze C, Bernier P, Rubio A. Elastic Properties of Single-Wall Nanotubes Applied Physics A. 68: 287-292. DOI: 10.1007/S003390050890  0.33
1999 Rubio A. Spectroscopic properties and STM images of carbon nanotubes Applied Physics a: Materials Science & Processing. 68: 275-282. DOI: 10.1007/S003390050888  0.348
1998 Knechtel WH, Düsberg GS, Blau WJ, Hernández E, Rubio A. Reversible bending of carbon nanotubes using a transmission electron microscope Applied Physics Letters. 73: 1961-1963. DOI: 10.1063/1.122335  0.33
1998 Serra L, Rubio A. Czechoslovak Journal of Physics. 48: 756-759. DOI: 10.1023/A:1021422613240  0.324
1998 Zhu H, Klein D, March N, Rubio A. SMALL BAND-GAP GRAPHITIC CBN LAYERS Journal of Physics and Chemistry of Solids. 59: 1303-1308. DOI: 10.1016/S0022-3697(98)00031-6  0.332
1998 Zhu H, Klein D, Schmalz T, Rubio A, March N. Geometric boundary effects on the electronic properties of finite carbon nanotubes Journal of Physics and Chemistry of Solids. 59: 417-423. DOI: 10.1016/S0022-3697(97)00188-1  0.311
1998 Gritsenko O, Cordero N, Rubio A, Alonso J. Gradient correction to the exchange pair-correlation function of the weighted spin-density approximation in the density functional formalism Chemical Physics Letters. 296: 307-312. DOI: 10.1016/S0009-2614(98)01039-2  0.317
1998 Wang B, Molina LM, López MJ, Rubio A, Alonso JA, Stott MJ. Comparative ab initio studies of small tin and lead clusters Annalen Der Physik. 510: 107-119. DOI: 10.1002/Andp.19985100205  0.31
1998 March N, Rubio A. Equilibrium Bond Lengths in Monoatomic Lattices of Metal Atoms as Function of Coordination Number Physica Status Solidi (B). 207: 311-316. DOI: 10.1002/(Sici)1521-3951(199806)207:2<311::Aid-Pssb311>3.0.Co;2-F  0.318
1997 Rubio A, Alonso JA, Blase X, Louie SG. Theoretical Models for the Optical Properties of Clusters and Nanostructures International Journal of Modern Physics B. 11: 2727-2776. DOI: 10.1142/S0217979297001349  0.517
1997 Crespi VH, Cohen ML, Rubio A. In Situ Band Gap Engineering of Carbon Nanotubes Physical Review Letters. 79: 2093-2096. DOI: 10.1103/Physrevlett.79.2093  0.455
1997 Serra L, Rubio A. Core Polarization in the Optical Response of Metal Clusters: Generalized Time-Dependent Density-Functional Theory Physical Review Letters. 78: 1428-1431. DOI: 10.1103/Physrevlett.78.1428  0.361
1997 March NH, Rubio A. Density-functional calculation for K lattices in condensed phase and quantum-chemical model for the cohesive energy of heavy alkali metals Physical Review B. 56: 13865-13871. DOI: 10.1103/Physrevb.56.13865  0.345
1997 Côté M, Zakharov O, Rubio A, Cohen ML. Ab initio calculations of the pressure-induced structural phase transitionsfor four II-VI compounds Physical Review B. 55: 13025-13031. DOI: 10.1103/Physrevb.55.13025  0.4
1997 Martin-Gil J, Martin-Gil FJ, Sarikaya M, Qian M, José-Yacamán M, Rubio A. Evidence of a low compressibility carbon nitride with defect-zincblende structure Journal of Applied Physics. 81: 2555-2559. DOI: 10.1063/1.364301  0.342
1997 Balbás L, Rubio A. First principles calculation of the dipole moments of small mixed Ge/Te semiconductor clusters Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 40: 182-185. DOI: 10.1007/S004600050189  0.362
1996 Rubio A, Alonso JA, Blase X, Balbás LC, Louie SG. Ab Initio Photoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters. Physical Review Letters. 77: 247-250. PMID 10062403 DOI: 10.1103/Physrevlett.77.247  0.461
1996 Rubio A, Miyamoto Y, Blase X, Cohen ML, Louie SG. Theoretical study of one-dimensional chains of metal atoms in nanotubes. Physical Review. B, Condensed Matter. 53: 4023-4026. PMID 9983957 DOI: 10.1103/Physrevb.53.4023  0.568
1996 Corso AD, Mauri F, Rubio A. Density-Functional Theory Of The Nonlinear Optical Susceptibility : Application To Cubic Semiconductors Physical Review B. 53: 15638-15642. PMID 9983397 DOI: 10.1103/Physrevb.53.15638  0.343
1996 Rubio A, Alonso JA, Blase X, Balbás LC, Louie SG. Ab Initio Photoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters [Phys. Rev. Lett. 77, 247 (1996)] Physical Review Letters. 77: 5442. DOI: 10.1103/Physrevlett.77.5442.2  0.46
1996 Nogueira F, Fiolhais C, He J, Perdew JP, Rubio A. Transferability of a local pseudopotential based on solid-state electron density Journal of Physics Condensed Matter. 8: 287-302. DOI: 10.1088/0953-8984/8/3/008  0.39
1995 Miyamoto Y, Rubio A, Blase X, Cohen ML, Louie SG. Ionic cohesion and electron doping of thin carbon tubules with alkali atoms. Physical Review Letters. 74: 2993-2996. PMID 10058076 DOI: 10.1103/Physrevlett.74.2993  0.567
1995 Blase X, Rubio A, Louie SG, Cohen ML. Mixed-space formalism for the dielectric response in periodic systems. Physical Review. B, Condensed Matter. 52: R2225-R2228. PMID 9981377 DOI: 10.1103/Physrevb.52.R2225  0.548
1995 Zakharov O, Rubio A, Cohen ML. Calculated structural and electronic properties of CdSe under pressure. Physical Review. B, Condensed Matter. 51: 4926-4930. PMID 9979363 DOI: 10.1103/Physrevb.51.4926  0.473
1995 Rubio A, Cohen ML. Quasiparticle excitations in GaAs1-xNx and AlAs1-xNx ordered alloys. Physical Review. B, Condensed Matter. 51: 4343-4346. PMID 9979278 DOI: 10.1103/Physrevb.51.4343  0.418
1995 Weng-Sieh Z, Cherrey K, Chopra NG, Blase X, Miyamoto Y, Rubio A, Cohen ML, Louie SG, Zettl A, Gronsky R. Synthesis of BxCyNz nanotubules. Physical Review. B, Condensed Matter. 51: 11229-11232. PMID 9977849 DOI: 10.1103/Physrevb.51.11229  0.477
1995 Blase X, Rubio A, Louie SG, Cohen ML. Quasiparticle band structure of bulk hexagonal boron nitride and related systems. Physical Review. B, Condensed Matter. 51: 6868-6875. PMID 9977240 DOI: 10.1103/Physrevb.51.6868  0.569
1995 Weng-Sieh Z, Cherrey K, Chopra NG, Blase X, Miyamoto Y, Rubio A, Cohen ML, Louie SG, Zettl A, Gronsky R. Synthesis of BxCyNz nanotubules Physical Review B. 51: 11229-11232. DOI: 10.1103/PhysRevB.51.11229  0.428
1995 Fagerquist CK, Sensharma DK, El-Sayed MA, Rubio A, Cohen ML. Enhancement of Metallic Silver Monomer Evaporation by the Adhesion of Polar Molecules to Silver Nanocluster Ions The Journal of Physical Chemistry. 99: 7723-7730. DOI: 10.1021/J100019A061  0.459
1995 Alonso JA, Balbás LC, Rubio A. Nonlocal functionals for exchange and correlation in density functional theory: Application to atoms and to small atomic clusters International Journal of Quantum Chemistry. 56: 499-508. DOI: 10.1002/Qua.560560508  0.328
1994 Rubio A, Corkill JL, Cohen ML. Theory Of Graphitic Boron Nitride Nanotubes Physical Review B. 49: 5081-5084. PMID 10011453 DOI: 10.1103/Physrevb.49.5081  0.5
1994 Rubio A, Corkill JL, Cohen ML. Quasiparticle band structures of short-period superlattices and ordered alloys of AlN and GaN. Physical Review B. 49: 1952-1956. PMID 10010996 DOI: 10.1103/Physrevb.49.1952  0.456
1994 Rubio Á, Alonso JA, López JM, Stott MJ. Collective electronic excitations in metal-coated C60. Physical Review B. 49: 17397-17402. PMID 10010922 DOI: 10.1103/Physrevb.49.17397  0.36
1994 Miyamoto Y, Rubio A, Cohen ML, Louie SG. Chiral tubules of hexagonal BC2N. Physical Review. B, Condensed Matter. 50: 4976-4979. PMID 9976827 DOI: 10.1103/Physrevb.50.4976  0.53
1994 Miyamoto Y, Rubio A, Louie SG, Cohen ML. Electronic properties of tubule forms of hexagonal BC3. Physical Review. B, Condensed Matter. 50: 18360-18366. PMID 9976272 DOI: 10.1103/Physrevb.50.18360  0.566
1994 Zakharov O, Rubio A, Blase X, Cohen ML, Louie SG. Quasiparticle band structures of six II-VI compounds: ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe. Physical Review. B, Condensed Matter. 50: 10780-10787. PMID 9975177 DOI: 10.1103/Physrevb.50.10780  0.556
1994 Blase X, Rubio A, Louie SG, Cohen ML. Stability and Band Gap Constancy of Boron Nitride Nanotubes Europhysics Letters (Epl). 28: 335-340. DOI: 10.1209/0295-5075/28/5/007  0.582
1994 Corkill JL, Rubio A, Cohen ML. Cation dependence of the electronic structure of III-V nitrides Journal of Physics: Condensed Matter. 6: 963-976. DOI: 10.1088/0953-8984/6/5/006  0.503
1994 Alonso JA, Rubio A, Balbas LC. Density functional calculation of the photoabsorption spectrum of simple metal clusters: Beyond the local-density approximation and jellium model Philosophical Magazine B. 69: 1037-1044. DOI: 10.1080/01418639408240172  0.349
1994 Balbás L, Rubio A, Torres M. Optical response of bimetallic and doped alkali clusters Computational Materials Science. 2: 509-518. DOI: 10.1016/0927-0256(94)90081-7  0.34
1994 Corkill JL, Rubio A, Cohen ML. Cation dependence of the electronic structure of AlAs and GaAs Materials Science and Engineering: B. 25: 79-84. DOI: 10.1016/0921-5107(94)90205-4  0.457
1994 Balb�s LC, Rubio A, Torres MB. Optical response of bimetallic Li x Na8?x (0?x?8) and of doped Na8Zn clusters Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 31: 269-273. DOI: 10.1007/Bf01445005  0.33
1994 Cordero NA, Gritsenko OV, Rubio A, BalbáS LC, Alonso JA. Ionization potentials of atoms calculated with a nonlocal exchange and a local correlation functional International Journal of Quantum Chemistry. 52: 993-1010. DOI: 10.1002/Qua.560520425  0.348
1994 Glossman MD, Balbás LC, Rubio A, Alonso JA. Nonlocal exchange and kinetic energy density functionals with correct asymptotic behavior for electronic systems International Journal of Quantum Chemistry. 49: 171-184. DOI: 10.1002/Qua.560490309  0.374
1993 Rubio A, Serra L. Dielectric screening effects on the photoabsorption cross section of embedded metallic clusters. Physical Review B. 48: 18222-18229. PMID 10008462 DOI: 10.1103/Physrevb.48.18222  0.334
1993 Rubio A, Corkill JL, Cohen ML, Shirley EL, Louie SG. Quasiparticle band structure of AlN and GaN. Physical Review. B, Condensed Matter. 48: 11810-11816. PMID 10007519 DOI: 10.1103/Physrevb.48.11810  0.596
1993 Glossman MD, Rubio A, Balbás LC, Alonso JA. Nonlocal exchange- and kinetic-energy density functionals for electronic systems: Application to atoms and ions Physical Review A. 47: 1804-1810. PMID 9909132 DOI: 10.1103/Physreva.47.1804  0.379
1993 Rubio A, Alonso J, López J, Stott M. Surface plasmon excitations in C60, C60K and C60H clusters Physica B: Condensed Matter. 183: 247-263. DOI: 10.1016/0921-4526(93)90035-5  0.387
1993 Gritsenko O, Rubio A, Balbás L, Alonso J. Non-local exchange and local Coulomb correlation energy density functionals for finite many-electron systems Chemical Physics Letters. 205: 348-353. DOI: 10.1016/0009-2614(93)87133-N  0.367
1993 Rubio A, Balb�s LC, Alonso JA. Photoabsorption cross sections of sodium clusters: electronic and geometrical effects Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 26: 284-286. DOI: 10.1007/Bf01429170  0.325
1993 Serra L, Rubio A. Collective excitations of embedded potassium clusters Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 26: 122-124. DOI: 10.1007/Bf01425638  0.352
1993 Glossman MD, Rubio A, Balbáas LC, Alonso JA, Serra LI. Nonlocal approximation to the exchange and kinetic energy functionals: Application to metallic clusters International Journal of Quantum Chemistry. 45: 333-347. DOI: 10.1002/Qua.560450402  0.39
1992 Glossman MD, Rubio A, Balbás LC, Alonso JA. Nonlocal exchange and kinetic‐energy density functionals for electronic systems International Journal of Quantum Chemistry. 44: 347-358. DOI: 10.1002/Qua.560440830  0.379
1991 Balbás LC, Alonso JA, Rubio A. One-Electron Energy Eigenvalues in the Weighted-Density Approximation to Exchange and Correlation Europhysics Letters (Epl). 14: 323-329. DOI: 10.1209/0295-5075/14/4/007  0.379
1991 Rubio A, Balbas L, Alonso J. Electronic structure of negatively charged aluminium clusters Physica B: Condensed Matter. 168: 32-38. DOI: 10.1016/0921-4526(91)90187-J  0.345
1991 Serra L, Garcias F, Barberán N, Barranco M, Navarro J, Rubio A. The response of metal clusters toq- andL-dependent external fields European Physical Journal D. 19: 89-91. DOI: 10.1007/Bf01448262  0.303
1990 Penzar Z, Ekardt W, Rubio A. Temperature effects on the optical absorption of jellium clusters. Physical Review B. 42: 5040-5045. PMID 9996063 DOI: 10.1103/Physrevb.42.5040  0.327
1990 Rubio A, Balbas L, Alonso J. Density functional study of neutral and charged sodium and lead clusters in the jellium model Physica B: Condensed Matter. 167: 19-32. DOI: 10.1016/0921-4526(90)90098-F  0.337
1989 Serra L, Garcias F, Barranco M, Navarro J, Balbas LC, Rubio A, Mananes A. The static polarisability of metal clusters and spheres in an improved Thomas-Fermi approximation Journal of Physics: Condensed Matter. 1: 10391-10405. DOI: 10.1088/0953-8984/1/51/012  0.314
1989 Balbas L, Rubio A, Alonso J, Borstel G. Electronic structure of atoms and metallic clusters using the wda-approximation for exchange and correlation effects Journal De Chimie Physique. 86: 799-821. DOI: 10.1051/Jcp/1989860799  0.323
1988 Balbas L, Rubio A, Alonso J, Borstel G. Theoretical study of the stability of AgN2+, AgN, AgN, AgN− and NaN− clusters as a function of size using the density functional formalism Chemical Physics. 120: 239-247. DOI: 10.1016/0301-0104(88)87170-2  0.314
1988 Balbás L, Rubio A, Alonso J, March N, Borstel G. X-ray scattering factors of crystalline silicon and germanium from A bond charge model Journal of Physics and Chemistry of Solids. 49: 1013-1017. DOI: 10.1016/0022-3697(88)90147-3  0.314
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