| Year |
Citation |
Score |
| 2023 |
Fan D, Chen P, Chelikowsky JR, Yao N. Individual Iron and Cobalt Atoms Identification using Atomic Force Microscopy. Microscopy and Microanalysis : the Official Journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada. 29: 581-582. PMID 37613337 DOI: 10.1093/micmic/ozad067.280 |
0.769 |
|
| 2023 |
Chen P, Fan D, Selloni A, Carter EA, Arnold CB, Zhang Y, Gross AS, Chelikowsky JR, Yao N. Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy. Nature Communications. 14: 1460. PMID 36928085 DOI: 10.1038/s41467-023-37023-9 |
0.792 |
|
| 2021 |
Fan D, Chelikowsky JR. Atomic Fingerprinting of Heteroatoms Using Noncontact Atomic Force Microscopy. Small (Weinheim An Der Bergstrasse, Germany). e2102977. PMID 34596948 DOI: 10.1002/smll.202102977 |
0.784 |
|
| 2021 |
Chen P, Fan D, Zhang Y, Selloni A, Carter EA, Arnold CB, Dankworth DC, Rucker SP, Chelikowsky JR, Yao N. Breaking a dative bond with mechanical forces. Nature Communications. 12: 5635. PMID 34561452 DOI: 10.1038/s41467-021-25932-6 |
0.775 |
|
| 2021 |
Fan D, Sakai Y, Chelikowsky JR. Correction to "Discrimination of Bond Order in Organic Molecules Using Noncontact Atomic Force Microscopy". Nano Letters. PMID 34100616 DOI: 10.1021/acs.nanolett.1c01987 |
0.778 |
|
| 2020 |
Gao W, Chelikowsky JR. Accelerating time-dependent density functional theory and GW calculations for molecules and nanoclusters with symmetry adapted interpolative separable density fitting. Journal of Chemical Theory and Computation. PMID 32074452 DOI: 10.1021/Acs.Jctc.9B01025 |
0.334 |
|
| 2020 |
Sakai Y, Chelikowsky JR, Cohen ML. Heavy boron doping in superconducting carbon materials Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.054801 |
0.303 |
|
| 2020 |
Fan D, Sakai Y, Chelikowsky JR. Chemical and steric effects in simulating noncontact atomic force microscopy images of organic molecules on a Cu (111) substrate Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.053802 |
0.33 |
|
| 2019 |
Gao W, Chelikowsky JR. A real-space based benchmark of GW calculations on GW100: effects of semi-core orbitals and orbital reordering. Journal of Chemical Theory and Computation. PMID 31424933 DOI: 10.1021/Acs.Jctc.9B00520 |
0.399 |
|
| 2019 |
Fan D, Sakai Y, Chelikowsky JR. Discrimination of Bond Order in Organic Molecules Using Noncontact Atomic Force Microscopy. Nano Letters. PMID 31340648 DOI: 10.1021/Acs.Nanolett.9B02097 |
0.775 |
|
| 2019 |
Kim H, Chelikowsky JR. Theoretical Scanning Tunneling Microscopy Images of the As Vacancy on the GaAs(110) Surface. Physical Review Letters. 77: 1063-1066. PMID 10062981 DOI: 10.1103/Physrevlett.77.1063 |
0.36 |
|
| 2019 |
Chelikowsky JR, Phillips JC, Kamal M, Strauss M. Surface and thermodynamic interatomic force fields for silicon clusters and bulk phases. Physical Review Letters. 62: 292-295. PMID 10040195 DOI: 10.1103/Physrevlett.62.292 |
0.316 |
|
| 2019 |
Chelikowsky JR, Glassford KM, Phillips JC. Interatomic force fields for silicon microclusters. Physical Review. B, Condensed Matter. 44: 1538-1545. PMID 9999687 DOI: 10.1103/Physrevb.44.1538 |
0.348 |
|
| 2019 |
Chelikowsky JR, Phillips JC. Surface and thermodynamic interatomic force fields for silicon clusters and bulk phases. Physical Review. B, Condensed Matter. 41: 5735-5745. PMID 9994457 DOI: 10.1103/Physrevb.41.5735 |
0.37 |
|
| 2019 |
Chelikowsky JR, Chou MY. Electronic and structural properties of elemental copper: A pseudopotential-local-orbital calculation. Physical Review. B, Condensed Matter. 38: 7966-7971. PMID 9945543 DOI: 10.1103/Physrevb.38.7966 |
0.36 |
|
| 2019 |
Chelikowsky JR, Chou MY. Ab initio pseudopotential-local-density description of the structural properties of small carbon clusters. Physical Review. B, Condensed Matter. 37: 6504-6507. PMID 9943901 DOI: 10.1103/Physrevb.37.6504 |
0.375 |
|
| 2019 |
Chou MY, Chelikowsky JR. Structural properties of the Ru(0001) surface. Physical Review. B, Condensed Matter. 35: 2124-2127. PMID 9941659 DOI: 10.1103/Physrevb.35.2124 |
0.37 |
|
| 2019 |
Chelikowsky JR, Fan D, Lee AJ, Sakai Y. Simulating noncontact atomic force microscopy images Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.110302 |
0.313 |
|
| 2019 |
Sakai Y, Chelikowsky JR, Cohen ML. Role of atomic coordination on superconducting properties of boron-doped amorphous carbon Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.084802 |
0.355 |
|
| 2019 |
Sakurai M, Chelikowsky JR. Enhanced magnetic moments in Mn-doped FeCo clusters owing to ferromagnetic surface Mn atoms Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.044402 |
0.329 |
|
| 2019 |
Neitzel J, Chelikowsky JR. B-P codopant effects on Raman spectra of Si nanocrystals using real space pseudopotentials Chemical Physics Letters. 735: 136739. DOI: 10.1016/J.Cplett.2019.136739 |
0.322 |
|
| 2018 |
Gao W, Chelikowsky JR. Accuracy of Partial Core Corrections using Fourier Transforms in Pseudopotential-Density Functional Theory. Journal of Chemical Theory and Computation. PMID 30398867 DOI: 10.1021/Acs.Jctc.8B00820 |
0.325 |
|
| 2018 |
Gao W, Hung L, Ogut S, Chelikowsky JR. The stability, electronic structure, and optical absorption of boron-nitride diamondoids predicted with first-principles calculations. Physical Chemistry Chemical Physics : Pccp. PMID 29978876 DOI: 10.1039/C8Cp02377H |
0.435 |
|
| 2018 |
Fan D, Sakai Y, Chelikowsky JR. Real-space pseudopotential calculations for simulating noncontact atomic force microscopy images Journal of Vacuum Science & Technology B. 36: 04H102. DOI: 10.1116/1.5029827 |
0.337 |
|
| 2018 |
Sakurai M, Chelikowsky JR. Real-space pseudopotential method for calculating magnetocrystalline anisotropy Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.084411 |
0.302 |
|
| 2017 |
Nguyen GD, Tsai HZ, Omrani AA, Marangoni T, Wu M, Rizzo DJ, Rodgers GF, Cloke RR, Durr RA, Sakai Y, Liou F, Aikawa AS, Chelikowsky JR, Louie SG, Fischer FR, et al. Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor. Nature Nanotechnology. PMID 28945240 DOI: 10.1038/Nnano.2017.155 |
0.386 |
|
| 2017 |
Lee AJ, Sakai Y, Chelikowsky JR. Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials Physical Review B. 95. DOI: 10.1103/Physrevb.95.081401 |
0.326 |
|
| 2017 |
Morales-Escalante J, Gamba IM, Cheng Y, Majorana A, Shu C, Chelikowsky J. Discontinuous Galerkin deterministic solvers for a Boltzmann–Poisson model of hot electron transport by averaged empirical pseudopotential band structures Computer Methods in Applied Mechanics and Engineering. 321: 209-234. DOI: 10.1016/J.Cma.2017.03.003 |
0.324 |
|
| 2016 |
Garrett BF, Azuri I, Kronik L, Chelikowsky JR. Real-space pseudopotential method for computing the vibrational Stark effect. The Journal of Chemical Physics. 145: 174111. PMID 27825233 DOI: 10.1063/1.4965918 |
0.339 |
|
| 2016 |
Sakai Y, Lee AJ, Chelikowsky JR. First-Principles Atomic Force Microscopy Image Simulations with Density Embedding Theory. Nano Letters. PMID 27050710 DOI: 10.1021/Acs.Nanolett.6B00741 |
0.355 |
|
| 2016 |
Bobbitt NS, Chelikowsky JR. Real-space pseudopotential study of vibrational properties and Raman spectra in Si-Ge core-shell nanocrystals. The Journal of Chemical Physics. 144: 124110. PMID 27036430 DOI: 10.1063/1.4943970 |
0.318 |
|
| 2016 |
Hung L, da Jornada FH, Souto-Casares J, Chelikowsky JR, Louie SG, Öğüt S. Excitation spectra of aromatic molecules within a real-spaceGW-BSE formalism: Role of self-consistency and vertex corrections Physical Review B. 94. DOI: 10.1103/Physrevb.94.085125 |
0.341 |
|
| 2016 |
Sakurai M, Souto-Casares J, Chelikowsky JR. Size dependence of structural stability and magnetization of nickel clusters from real-space pseudopotentials Physical Review B. 94. DOI: 10.1103/Physrevb.94.024437 |
0.37 |
|
| 2016 |
Souto-Casares J, Sakurai M, Chelikowsky JR. Structural and magnetic properties of large cobalt clusters Physical Review B. 93. DOI: 10.1103/Physrevb.93.174418 |
0.306 |
|
| 2016 |
Lee AJ, Sakai Y, Kim M, Chelikowsky JR. Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging Applied Physics Letters. 108: 193102. DOI: 10.1063/1.4948600 |
0.364 |
|
| 2016 |
Scott Bobbitt N, Chelikowsky JR. First-principles calculations of Raman spectra in Li-doped Si nanocrystals Chemical Physics Letters. 646: 136-141. DOI: 10.1016/J.Cplett.2016.01.021 |
0.356 |
|
| 2015 |
Scott Bobbitt N, Schofield G, Lena C, Chelikowsky JR. High order forces and nonlocal operators in a Kohn-Sham Hamiltonian. Physical Chemistry Chemical Physics : Pccp. PMID 26106967 DOI: 10.1039/C5Cp02561C |
0.356 |
|
| 2015 |
Kim M, Marom N, Scott Bobbitt N, Chelikowsky JR. A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals. The Journal of Chemical Physics. 142: 044704. PMID 25638000 DOI: 10.1063/1.4906150 |
0.373 |
|
| 2015 |
Kim M, Chelikowsky JR. CO tip functionalization in subatomic resolution atomic force microscopy Applied Physics Letters. 107: 163109. DOI: 10.1063/1.4934273 |
0.373 |
|
| 2015 |
Chan TL, Souto-Casares J, Chelikowsky JR, Ho KM, Wang CZ, Zhang SB. The role of quantum confinement in the formation of Schottky barriers in Pb-Si interfaces Solid State Communications. 217: 43-46. DOI: 10.1016/J.Ssc.2015.05.014 |
0.328 |
|
| 2014 |
Marom N, Körzdörfer T, Ren X, Tkatchenko A, Chelikowsky JR. Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters. The Journal of Physical Chemistry Letters. 5: 2395-401. PMID 26277805 DOI: 10.1021/Jz5008356 |
0.351 |
|
| 2014 |
Chan TL, Lee AJ, Mok AW, Chelikowsky JR. Interaction range of P-dopants in Si[110] nanowires: determining the nondegenerate limit. Nano Letters. 14: 6306-13. PMID 25343617 DOI: 10.1021/Nl502703Z |
0.316 |
|
| 2014 |
Bobbitt NS, Sai N, Marom N, Kim M, Chelikowsky JR. Real space pseudopotential calculations for size trends in Ga- and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures. The Journal of Chemical Physics. 141: 094309. PMID 25194374 DOI: 10.1063/1.4893478 |
0.361 |
|
| 2014 |
Jain M, Deslippe J, Samsonidze G, Cohen ML, Chelikowsky JR, Louie SG. Improved quasiparticle wave functions and mean field for G0W0 calculations: Initialization with the COHSEX operator Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.115148 |
0.343 |
|
| 2014 |
Chan T, Lee AJ, Chelikowsky JR. An effective capacitance model for computing the electronic properties of charged defects in crystals Computer Physics Communications. 185: 1564-1569. DOI: 10.1016/J.Cpc.2014.02.020 |
0.345 |
|
| 2014 |
Kim M, Chelikowsky JR. Simulated non-contact atomic force microscopy for GaAs surfaces based on real-space pseudopotentials Applied Surface Science. 303: 163-167. DOI: 10.1016/J.Apsusc.2014.02.127 |
0.355 |
|
| 2013 |
Marom N, DiStasio RA, Atalla V, Levchenko S, Reilly AM, Chelikowsky JR, Leiserowitz L, Tkatchenko A. Many-body dispersion interactions in molecular crystal polymorphism. Angewandte Chemie (International Ed. in English). 52: 6629-32. PMID 23681762 DOI: 10.1002/Anie.201301938 |
0.348 |
|
| 2013 |
Besteiro LV, Tortajada L, Souto J, Gallego LJ, Chelikowsky JR, Alemany MMG. Doping efficiency inn-type InP nanowires Physical Review B. 88. DOI: 10.1103/Physrevb.88.115310 |
0.319 |
|
| 2012 |
Sai N, Gearba R, Dolocan A, Tritsch JR, Chan WL, Chelikowsky JR, Leung K, Zhu X. Understanding the Interface Dipole of Copper Phthalocyanine (CuPc)/C60: Theory and Experiment. The Journal of Physical Chemistry Letters. 3: 2173-7. PMID 26295767 DOI: 10.1021/Jz300744R |
0.325 |
|
| 2012 |
Moussa JE, Marom N, Sai N, Chelikowsky JR. Theoretical design of a shallow donor in diamond by lithium-nitrogen codoping. Physical Review Letters. 108: 226404. PMID 23003633 DOI: 10.1103/Physrevlett.108.226404 |
0.343 |
|
| 2012 |
Moussa JE, Schultz PA, Chelikowsky JR. Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space. The Journal of Chemical Physics. 136: 204117. PMID 22667550 DOI: 10.1063/1.4722993 |
0.306 |
|
| 2012 |
Marom N, Kim M, Chelikowsky JR. Structure selection based on high vertical electron affinity for TiO2 clusters. Physical Review Letters. 108: 106801. PMID 22463437 DOI: 10.1103/Physrevlett.108.106801 |
0.377 |
|
| 2012 |
Lee AJ, Kim M, Lena C, Chelikowsky JR. Mechanical and electronic properties of strained Ge nanowires usingab initioreal-space pseudopotentials Physical Review B. 86. DOI: 10.1103/Physrevb.86.115331 |
0.303 |
|
| 2012 |
Schofield G, Chelikowsky JR, Saad Y. A spectrum slicing method for the Kohn-Sham problem Computer Physics Communications. 183: 497-505. DOI: 10.1016/J.Cpc.2011.11.005 |
0.346 |
|
| 2011 |
Jain M, Chelikowsky JR, Louie SG. Reliability of hybrid functionals in predicting band gaps. Physical Review Letters. 107: 216806. PMID 22181911 DOI: 10.1103/Physrevlett.107.216806 |
0.313 |
|
| 2011 |
Jain M, Chelikowsky JR, Louie SG. Quasiparticle excitations and charge transition levels of oxygen vacancies in hafnia. Physical Review Letters. 107: 216803. PMID 22181908 DOI: 10.1103/Physrevlett.107.216803 |
0.322 |
|
| 2011 |
Marom N, Moussa JE, Ren X, Tkatchenko A, Chelikowsky JR. Electronic structure of dye-sensitized TiO 2 clusters from many-body perturbation theory Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.245115 |
0.382 |
|
| 2011 |
Marom N, Ren X, Moussa JE, Chelikowsky JR, Kronik L. Electronic structure of copper phthalocyanine from G0W 0 calculations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.195143 |
0.345 |
|
| 2011 |
Sai N, Leung K, Chelikowsky JR. Hybrid density functional study of oligothiophene/ZnO interface for photovoltaics Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.121309 |
0.33 |
|
| 2011 |
Chelikowsky JR, Alemany MMG, Chan T, Dalpian GM. Computational studies of doped nanostructures Reports On Progress in Physics. 74: 046501. DOI: 10.1088/0034-4885/74/4/046501 |
0.357 |
|
| 2010 |
Khoo KH, Zayak AT, Kwak H, Chelikowsky JR. First-principles study of confinement effects on the Raman spectra of Si nanocrystals. Physical Review Letters. 105: 115504. PMID 20867585 DOI: 10.1103/Physrevlett.105.115504 |
0.351 |
|
| 2010 |
Chan TL, Chelikowsky JR. Controlling diffusion of lithium in silicon nanostructures. Nano Letters. 10: 821-5. PMID 20121259 DOI: 10.1021/Nl903183N |
0.321 |
|
| 2010 |
Saad Y, Chelikowsky JR, Shontz SM. Numerical Methods for Electronic Structure Calculations of Materials Siam Review. 52: 3-54. DOI: 10.1137/060651653 |
0.304 |
|
| 2010 |
Lopez Del Puerto M, Jain M, Chelikowsky JR. Time-dependent density functional theory calculations for the Stokes shift in hydrogenated silicon clusters Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.035309 |
0.792 |
|
| 2010 |
Vasiliev I, Chelikowsky JR. Real-space calculations of atomic and molecular polarizabilities using asymptotically correct exchange-correlation potentials Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.012502 |
0.413 |
|
| 2010 |
Eom J, Chan T, Chelikowsky JR. Vacancies and B doping in Si nanocrystals Solid State Communications. 150: 130-132. DOI: 10.1016/J.Ssc.2009.09.033 |
0.342 |
|
| 2009 |
Chelikowsky JR, Zayak AT, Chan TL, Tiago ML, Zhou Y, Saad Y. Algorithms for the electronic and vibrational properties of nanocrystals. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 064207. PMID 21715910 DOI: 10.1088/0953-8984/21/6/064207 |
0.306 |
|
| 2009 |
Chan TL, Wang CZ, Ho KM, Chelikowsky JR. Efficient first-principles simulation of noncontact atomic force microscopy for structural analysis. Physical Review Letters. 102: 176101. PMID 19518799 DOI: 10.1103/Physrevlett.102.176101 |
0.355 |
|
| 2009 |
Chan TL, Zayak AT, Dalpian GM, Chelikowsky JR. Role of confinement on diffusion barriers in semiconductor nanocrystals. Physical Review Letters. 102: 025901. PMID 19257292 DOI: 10.1103/Physrevlett.102.025901 |
0.352 |
|
| 2009 |
Chelikowsky JR, Saad Y, Chan TL, Tiago ML, Zayak AT, Zhou Y. Pseudopotentials on grids: Application to the electronic, optical, and vibrational properties of silicon nanocrystals Journal of Computational and Theoretical Nanoscience. 6: 1247-1261. DOI: 10.1166/Jctn.2009.1173 |
0.339 |
|
| 2009 |
Chan T, Wang CZ, Ho KM, Chelikowsky JR. Publisher’s Note: Efficient First-Principles Simulation of Noncontact Atomic Force Microscopy for Structural Analysis [Phys. Rev. Lett.102, 176101 (2009)] Physical Review Letters. 102. DOI: 10.1103/Physrevlett.102.189905 |
0.341 |
|
| 2009 |
Tiago ML, Idrobo JC, Öǧüt S, Jellinek J, Chelikowsky JR. Electronic and optical excitations in Agn clusters (n=1-8): Comparison of density-functional and many-body theories Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.155419 |
0.413 |
|
| 2009 |
Vasiliev I, del Puerto ML, Jain M, Lugo-Solis A, Chelikowsky JR. Application of time-dependent density-functional theory to molecules and nanostructures Journal of Molecular Structure: Theochem. 914: 115-129. DOI: 10.1016/J.Theochem.2009.04.019 |
0.427 |
|
| 2008 |
Han J, Tiago ML, Chan TL, Chelikowsky JR. Real space method for the electronic structure of one-dimensional periodic systems. The Journal of Chemical Physics. 129: 144109. PMID 19045136 DOI: 10.1063/1.2988316 |
0.328 |
|
| 2008 |
Chan TL, Tiago ML, Kaxiras E, Chelikowsky JR. Size limits on doping phosphorus into silicon nanocrystals. Nano Letters. 8: 596-600. PMID 18154366 DOI: 10.1021/Nl072997A |
0.35 |
|
| 2008 |
Natan A, Benjamini A, Naveh D, Kronik L, Tiago ML, Beckman SP, Chelikowsky JR. Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.075109 |
0.333 |
|
| 2008 |
Sai N, Tiago ML, Chelikowsky JR, Reboredo FA. Optical spectra and exchange-correlation effects in molecular crystals Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.161306 |
0.336 |
|
| 2008 |
Lopez Del Puerto M, Tiago ML, Chelikowsky JR. Ab initio methods for the optical properties of CdSe clusters Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.045404 |
0.772 |
|
| 2008 |
Zayak AT, Beckman SP, Tiago ML, Entel P, Chelikowsky JR. Switchable Ni-Mn-Ga Heusler nanocrystals Journal of Applied Physics. 104. DOI: 10.1063/1.2988189 |
0.328 |
|
| 2008 |
Alemany MMG, Huang X, Tiago ML, Gallego LJ, Chelikowsky JR. Ab initio calculations for p-type doped bulk indium phosphide Solid State Communications. 146: 245-248. DOI: 10.1016/J.Ssc.2008.02.019 |
0.373 |
|
| 2008 |
Kwak H, Tiago ML, Chelikowsky JR. Quantum confinement and strong coulombic correlation in ZnO nanocrystals Solid State Communications. 145: 227-230. DOI: 10.1016/J.Ssc.2007.11.004 |
0.323 |
|
| 2008 |
Kwak H, Tiago ML, Chan TL, Chelikowsky JR. Hyperfine splitting of partially ionized Li donors in ZnO nanocrystals Chemical Physics Letters. 454: 337-340. DOI: 10.1016/J.Cplett.2008.02.046 |
0.394 |
|
| 2007 |
Lopez del Puerto M, Tiago ML, Chelikowsky JR. Ab initio calculation of temperature effects in the optical response of open-shell sodium clusters. The Journal of Chemical Physics. 127: 144311. PMID 17935399 DOI: 10.1063/1.2755720 |
0.786 |
|
| 2007 |
Rollmann G, Gruner ME, Hucht A, Meyer R, Entel P, Tiago ML, Chelikowsky JR. Shellwise Mackay transformation in iron nanoclusters. Physical Review Letters. 99: 083402. PMID 17930948 DOI: 10.1103/Physrevlett.99.083402 |
0.385 |
|
| 2007 |
Kong L, Chelikowsky JR, Neaton JB, Louie SG. Real-space pseudopotential calculations of spin-dependent electron transport in magnetic molecular junctions Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.235422 |
0.307 |
|
| 2007 |
Alemany MMG, Longo RC, Gallego LJ, González DJ, González LE, Tiago ML, Chelikowsky JR. Ab initio molecular dynamics simulations of the static, dynamic, and electronic properties of liquid Pb using real-space pseudopotentials Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.214203 |
0.321 |
|
| 2007 |
Sitt A, Kronik L, Ismail-Beigi S, Chelikowsky JR. Excited-state forces within time-dependent density-functional theory: A frequency-domain approach Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.054501 |
0.316 |
|
| 2007 |
Alemany MMG, Huang X, Tiago ML, Gallego LJ, Chelikowsky JR. The role of quantum confinement in p-type doped indium phosphide nanowires Nano Letters. 7: 1878-1882. DOI: 10.1021/Nl070344O |
0.366 |
|
| 2007 |
Beckman SP, Chelikowsky JR. The structure and properties of vacancies in Si nano-crystals calculated by real space pseudopotential methods Physica B: Condensed Matter. 401: 537-540. DOI: 10.1016/J.Physb.2007.09.016 |
0.352 |
|
| 2007 |
Chan TL, Tiago ML, Chelikowsky JR. Algorithms for defects in nanostructures Physica B: Condensed Matter. 401: 531-536. DOI: 10.1016/J.Physb.2007.09.015 |
0.318 |
|
| 2007 |
Alemany MMG, Jain M, Tiago ML, Zhou Y, Saad Y, Chelikowsky JR. Efficient first-principles calculations of the electronic structure of periodic systems Computer Physics Communications. 177: 339-347. DOI: 10.1016/J.Cpc.2007.04.003 |
0.37 |
|
| 2007 |
Chelikowsky JR, Tiago ML, Saad Y, Zhou Y. Algorithms for the evolution of electronic properties in nanocrystals Computer Physics Communications. 177: 1-5. DOI: 10.1016/J.Cpc.2007.02.072 |
0.329 |
|
| 2006 |
Norberg NS, Dalpian GM, Chelikowsky JR, Gamelin DR. Energetic pinning of magnetic impurity levels in quantum-confined semiconductors. Nano Letters. 6: 2887-92. PMID 17163725 DOI: 10.1021/Nl062153B |
0.305 |
|
| 2006 |
Tiago ML, Zhou Y, Alemany MM, Saad Y, Chelikowsky JR. Evolution of magnetism in iron from the atom to the bulk. Physical Review Letters. 97: 147201. PMID 17155287 DOI: 10.1103/Physrevlett.97.147201 |
0.372 |
|
| 2006 |
del Puerto ML, Tiago ML, Chelikowsky JR. Excitonic effects and optical properties of passivated CdSe clusters. Physical Review Letters. 97: 096401. PMID 17026380 DOI: 10.1103/Physrevlett.97.096401 |
0.393 |
|
| 2006 |
Li S, Alemany MM, Chelikowsky JR. Real space pseudopotential calculations for copper clusters. The Journal of Chemical Physics. 125: 34311. PMID 16863354 DOI: 10.1063/1.2216698 |
0.509 |
|
| 2006 |
Dalpian GM, Tiago ML, Lopez del Puerto M, Chelikowsky JR. Symmetry considerations in CdSe nanocrystals. Nano Letters. 6: 501-4. PMID 16522051 DOI: 10.1021/Nl0525094 |
0.776 |
|
| 2006 |
Chelikowsky JR. Simulating Liquid GeTe Mrs Proceedings. 918. DOI: 10.1557/Proc-0918-H03-01 |
0.356 |
|
| 2006 |
Alemany MMG, Chelikowsky JR. Ab initio calculations for the interconversion of optically active defects in amorphous silica Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.235211 |
0.408 |
|
| 2006 |
Li S, Alemany MMG, Chelikowsky JR. Real-spaceab initiopseudopotential calculations for anion clusters:Fen−(n=3–6) Physical Review B. 73. DOI: 10.1103/Physrevb.73.233404 |
0.48 |
|
| 2006 |
Tiago ML, Chelikowsky JR. Optical excitations in organic molecules, clusters, and defects studied by first-principles Green's function methods Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.205334 |
0.411 |
|
| 2006 |
Kong L, Tiago ML, Chelikowsky JR. Real-space pseudopotential method for electron transport properties of nanoscale junctions Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.195118 |
0.312 |
|
| 2006 |
Nakayama KS, Alemany MMG, Sugano T, Ohmori K, Kwak H, Chelikowsky JR, Weaver JH. Publisher's Note: Electronic structure ofSi(001)−c(4×2)analyzed by scanning tunneling spectroscopy andab initiosimulations [Phys. Rev. B73, 035330 (2006)] Physical Review B. 73. DOI: 10.1103/Physrevb.73.079901 |
0.3 |
|
| 2006 |
Nakayama KS, Alemany MMG, Sugano T, Ohmori K, Kwak H, Chelikowsky JR, Weaver JH. Electronic structure ofSi(001)−c(4×2)analyzed by scanning tunneling spectroscopy andab initiosimulations Physical Review B. 73. DOI: 10.1103/Physrevb.73.035330 |
0.403 |
|
| 2006 |
Chelikowsky JR. The role of self-purification and the electronic structure of magnetically doped semiconductor nanocrystals Phase Transitions. 79: 739-753. DOI: 10.1080/01411590601030100 |
0.325 |
|
| 2006 |
Chelikowsky JR, Saad Y, Vasiliev I. Atoms and clusters Lecture Notes in Physics. 706: 259-269. DOI: 10.1007/3-540-35426-3_17 |
0.351 |
|
| 2006 |
Tiago ML, Chelikowsky JR. Confinement effects in the optical properties of semiconductor nanocrystals Physica Status Solidi (B) Basic Research. 243: 2151-2158. DOI: 10.1002/Pssb.200666822 |
0.336 |
|
| 2006 |
Kronik L, Makmal A, Tiago ML, Alemany MMG, Jain M, Huang X, Saad Y, Chelikowsky JR. PARSEC - The pseudopotential algorithm for real-space electronic structure calculations: Recent advances and novel applications to nano-structures Physica Status Solidi (B) Basic Research. 243: 1063-1079. DOI: 10.1002/Pssb.200541463 |
0.334 |
|
| 2005 |
Ko E, Alemany MM, Derby JJ, Chelikowsky JR. Ab Initio simulations of nonstoichiometric Cd(x)Te(1-x) liquids. The Journal of Chemical Physics. 123: 084508. PMID 16164313 DOI: 10.1063/1.2008247 |
0.534 |
|
| 2005 |
Huang X, Makmal A, Chelikowsky JR, Kronik L. Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystals. Physical Review Letters. 94: 236801. PMID 16090492 DOI: 10.1103/Physrevlett.94.236801 |
0.353 |
|
| 2005 |
Li S, Alemany MMG, Chelikowsky JR. Ab initiocalculations of the photoelectron spectra of transition metal clusters Physical Review B. 71. DOI: 10.1103/Physrevb.71.165433 |
0.545 |
|
| 2005 |
Huang X, Lindgren E, Chelikowsky JR. Surface passivation method for semiconductor nanostructures Physical Review B. 71. DOI: 10.1103/Physrevb.71.165328 |
0.338 |
|
| 2005 |
Lopez Del Puerto M, Tiago ML, Vasiliev I, Chelikowsky JR. Real-space pseudopotential calculations of the ground-state and excited-state properties of the water molecule Physical Review a - Atomic, Molecular, and Optical Physics. 72. DOI: 10.1103/Physreva.72.052504 |
0.777 |
|
| 2005 |
Tiago ML, Chelikowsky JR. First-principles GW-BSE excitations in organic molecules Solid State Communications. 136: 333-337. DOI: 10.1016/J.Ssc.2005.08.012 |
0.364 |
|
| 2005 |
De La Grandmaison EL, Gowda SB, Saad Y, Tiago ML, Chelikowsky JR. Efficient computation of the coupling matrix in time-dependent density functional theory Computer Physics Communications. 167: 7-22. DOI: 10.1016/J.Cpc.2004.12.003 |
0.305 |
|
| 2004 |
Li S, Alemany MM, Chelikowsky JR. Ab initio calculations for the photoelectron spectra of vanadium clusters. The Journal of Chemical Physics. 121: 5893-8. PMID 15367017 DOI: 10.1063/1.1785142 |
0.552 |
|
| 2004 |
Ko E, Alemany MM, Chelikowsky JR. Viscosities of liquid CdTe near melting point from ab initio molecular-dynamics calculations. The Journal of Chemical Physics. 121: 942-5. PMID 15260626 DOI: 10.1063/1.1759612 |
0.525 |
|
| 2004 |
Melnikov DV, Chelikowsky JR. Quantum confinement in phosphorus-doped silicon nanocrystals. Physical Review Letters. 92: 046802. PMID 14995392 DOI: 10.1103/Physrevlett.92.046802 |
0.42 |
|
| 2004 |
Melnikov DV, Chelikowsky JR. Electron affinities and ionization energies in Si and Ge nanocrystals Physical Review B. 69. DOI: 10.1103/Physrevb.69.113305 |
0.381 |
|
| 2004 |
Alemany MMG, Jain M, Kronik L, Chelikowsky JR. Real-space pseudopotential method for computing the electronic properties of periodic systems Physical Review B. 69. DOI: 10.1103/Physrevb.69.075101 |
0.335 |
|
| 2003 |
Oğüt S, Chelikowsky JR. Charge state dependent Jahn-Teller distortions of the e-center defect in crystalline Si. Physical Review Letters. 91: 235503. PMID 14683194 DOI: 10.1103/Physrevlett.91.235503 |
0.376 |
|
| 2003 |
Oğüt S, Burdick R, Saad Y, Chelikowsky JR. Ab initio calculations for large dielectric matrices of confined systems. Physical Review Letters. 90: 127401. PMID 12688897 DOI: 10.1103/Physrevlett.90.127401 |
0.308 |
|
| 2003 |
Kronik L, Fromherz R, Ko E, Gantef�r G, Chelikowsky JR. Photoemission spectra of deuterated silicon clusters: experiment and theory The European Physical Journal D - Atomic, Molecular and Optical Physics. 24: 33-36. DOI: 10.1140/Epjd/E2003-00186-5 |
0.582 |
|
| 2003 |
Alemany MMG, Chelikowsky JR. Edge-sharing tetrahedra: Precursors of theEγ′defects in amorphous silica Physical Review B. 68. DOI: 10.1103/Physrevb.68.054206 |
0.318 |
|
| 2003 |
Chelikowsky JR, Kronik L, Vasiliev I. Time-dependent density-functional calculations for the optical spectra of molecules, clusters, and nanocrystals Journal of Physics Condensed Matter. 15. DOI: 10.1088/0953-8984/15/35/201 |
0.434 |
|
| 2003 |
Troparevsky MC, Kronik L, Chelikowsky JR. Optical properties of CdSe quantum dots Journal of Chemical Physics. 119: 2284-2287. DOI: 10.1063/1.1585013 |
0.768 |
|
| 2003 |
Chelikowsky JR, Kronik L, Vasiliev I, Jain M, Saad Y. Using real space pseudopotentials for the electronic structure problem Handbook of Numerical Analysis. 10: 613-637. DOI: 10.1016/S1570-8659(03)10010-5 |
0.351 |
|
| 2003 |
Melnikov DV, Chelikowsky JR. Absorption spectra of germanium nanocrystals Solid State Communications. 127: 361-365. DOI: 10.1016/S0038-1098(03)00445-9 |
0.382 |
|
| 2003 |
Russell Burdick W, Saad Y, Kronik L, Vasiliev I, Jain M, Chelikowsky JR. Parallel implementation of time-dependent density functional theory Computer Physics Communications. 156: 22-42. DOI: 10.1016/S0010-4655(03)00413-2 |
0.357 |
|
| 2002 |
Kronik L, Fromherz R, Ko E, Ganteför G, Chelikowsky JR. Highest electron affinity as a predictor of cluster anion structures. Nature Materials. 1: 49-53. PMID 12618849 DOI: 10.1038/Nmat704 |
0.59 |
|
| 2002 |
Chelikowsky J. Silicon in All its Forms Mrs Bulletin. 27: 951-960. DOI: 10.1557/Mrs2002.301 |
0.346 |
|
| 2002 |
Vasiliev I, Chelikowsky JR, Martin RM. Surface oxidation effects on the optical properties of silicon nanocrystals Physical Review B. 65. DOI: 10.1103/Physrevb.65.121302 |
0.389 |
|
| 2002 |
Vasiliev I, Öğüt S, Chelikowsky JR. First-principles density-functional calculations for optical spectra of clusters and nanocrystals Physical Review B. 65. DOI: 10.1103/Physrevb.65.115416 |
0.443 |
|
| 2002 |
Raty JY, Godlevsky VV, Gaspard JP, Bichara C, Bionducci M, Bellissent R, Céolin R, Chelikowsky JR, Ghosez P. Local structure of liquid GeTe via neutron scattering andab initiosimulations Physical Review B. 65. DOI: 10.1103/Physrevb.65.115205 |
0.344 |
|
| 2002 |
Jain M, Godlevsky VV, Derby JJ, Chelikowsky JR. First-principles simulations of liquid ZnTe Physical Review B - Condensed Matter and Materials Physics. 65: 352121-352127. DOI: 10.1103/Physrevb.65.035212 |
0.303 |
|
| 2002 |
Ko E, Jain M, Chelikowsky JR. First principles simulations of SiGe for the liquid and amorphous states Journal of Chemical Physics. 117: 3476-3483. DOI: 10.1063/1.1488594 |
0.57 |
|
| 2001 |
Vasiliev I, Öǧüt S, Chelikowsky JR. Ab initio absorption spectra and optical gaps in nanocrystalline silicon Physical Review Letters. 86: 1813-1816. DOI: 10.1103/Physrevlett.86.1813 |
0.407 |
|
| 2001 |
Troparevsky MC, Kronik L, Chelikowsky JR. Ab initioabsorption spectra of CdSe clusters Physical Review B. 65. DOI: 10.1103/Physrevb.65.033311 |
0.417 |
|
| 2001 |
Öğüt S, Chelikowsky JR. Ab initioinvestigation of point defects in bulk Si and Ge using a cluster method Physical Review B. 64. DOI: 10.1103/Physrevb.64.245206 |
0.413 |
|
| 2001 |
Jain M, Kronik L, Chelikowsky J, Godlevsky V. Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductors Physical Review B. 64. DOI: 10.1103/Physrevb.64.245205 |
0.304 |
|
| 2001 |
Woicik JC, Nelson EJ, Kendelewicz T, Pianetta P, Jain M, Kronik L, Chelikowsky JR. Partial density of occupied valence states by x-ray standing waves and high-resolution photoelectron spectroscopy Physical Review B - Condensed Matter and Materials Physics. 63: 414031-414034. DOI: 10.1103/Physrevb.63.041403 |
0.31 |
|
| 2001 |
Chelikowsky JR, Derby JJ, Godlevsky VV, Jain M, Raty JY. Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method Journal of Physics Condensed Matter. 13: R817-R854. DOI: 10.1088/0953-8984/13/41/201 |
0.317 |
|
| 2001 |
Kronik L, Vasiliev I, Jain M, Chelikowsky JR. Erratum: “Ab initio structures and polarizabilities of sodium clusters” [J. Chem. Phys. 115, 4322 (2001)] The Journal of Chemical Physics. 115: 8714-8714. DOI: 10.1063/1.1412232 |
0.306 |
|
| 2001 |
Kronik L, Vasiliev I, Jain M, Chelikowsky JR. Ab initio structures and polarizabilities of sodium clusters Journal of Chemical Physics. 115: 4322-4332. DOI: 10.1063/1.1390524 |
0.405 |
|
| 2001 |
Troparevsky MC, Chelikowsky JR. Structural and electronic properties of CdS and CdSe clusters Journal of Chemical Physics. 114: 943-949. DOI: 10.1063/1.1329126 |
0.786 |
|
| 2000 |
Raty J, Godlevsky V, Ghosez P, Bichara C, Gaspard J, Chelikowsky JR. Evidence of a reentrant peierls distortion in liquid GeTe Physical Review Letters. 85: 1950-1953. PMID 10970655 DOI: 10.1103/Physrevlett.85.1950 |
0.302 |
|
| 2000 |
Müller J, Liu B, Shvartsburg AA, Ogut S, Chelikowsky JR, Siu KWM, Ho KM, Gantefor G. Spectroscopic evidence for the tricapped trigonal prism structure of semiconductor clusters Physical Review Letters. 85: 1666-1669. DOI: 10.1103/Physrevlett.85.1666 |
0.392 |
|
| 2000 |
Kronik L, Vasiliev I, Chelikowsky JR. Ab initio calculations for structure and temperature effects on the polarizabilities of Nan (n≤20) clusters Physical Review B - Condensed Matter and Materials Physics. 62: 9992-9995. DOI: 10.1103/Physrevb.62.9992 |
0.429 |
|
| 2000 |
Christie DM, Chelikowsky JR. Electronic and structural properties of germania polymorphs Physical Review B. 62: 14703-14711. DOI: 10.1103/Physrevb.62.14703 |
0.398 |
|
| 2000 |
Chelikowsky JR. The pseudopotential-density functional method applied to nanostructures Journal of Physics D: Applied Physics. 33: R33-R50. DOI: 10.1088/0022-3727/33/8/201 |
0.364 |
|
| 2000 |
Chelikowsky J, Saad Y, �?�t S, Vasiliev I, Stathopoulos A. Electronic Structure Methods for Predicting the Properties of Materials: Grids in Space Physica Status Solidi (B). 217: 173-195. DOI: 10.1002/(Sici)1521-3951(200001)217:1<173::Aid-Pssb173>3.0.Co;2-Z |
0.364 |
|
| 1999 |
Vasiliev I, Öǧüt S, Chelikowsky JR. Optical absorption and electronic excitations in hydrogenated silicon clusters Mrs Proceedings. 579: 91-96. DOI: 10.1557/Proc-579-91 |
0.362 |
|
| 1999 |
Ögüt S, Chelikowsky JR, Louie SG. Optical Properties of Silicon Nanocrystals: A First Principles Study Mrs Proceedings. 579. DOI: 10.1557/Proc-579-81 |
0.406 |
|
| 1999 |
Öğüt S, Chelikowsky JR. Large Pairing Jahn-Teller Distortions Around Divacancies in Crystalline Silicon Physical Review Letters. 83: 3852-3855. DOI: 10.1103/Physrevlett.83.3852 |
0.384 |
|
| 1999 |
Vasiliev I, Öğüt S, Chelikowsky JR. Ab InitioExcitation Spectra and Collective Electronic Response in Atoms and Clusters Physical Review Letters. 82: 1919-1922. DOI: 10.1103/Physrevlett.82.1919 |
0.395 |
|
| 1999 |
Vasiliev I, Öğüt S, Chelikowsky JR. Ab initioabsorption spectra of gallium arsenide clusters Physical Review B. 60: R8477-R8480. DOI: 10.1103/Physrevb.60.R8477 |
0.317 |
|
| 1999 |
Godlevsky VV, Jain M, Derby JJ, Chelikowsky JR. First-principles calculations of liquid CdTe at temperatures above and below the melting point Physical Review B - Condensed Matter and Materials Physics. 60: 8640-8649. DOI: 10.1103/Physrevb.60.8640 |
0.328 |
|
| 1999 |
Jay LO, Kim H, Saad Y, Chelikowsky JR. Electronic structure calculations for plane-wave codes without diagonalization Computer Physics Communications. 118: 21-30. DOI: 10.1016/S0010-4655(98)00192-1 |
0.308 |
|
| 1998 |
Chelikowsky JR. Structural and electronic properties of neutral and charged silicalike clusters Physical Review B. 57: 3333-3339. DOI: 10.1103/Physrevb.57.3333 |
0.349 |
|
| 1998 |
Godlevsky V, Chelikowsky JR. Ab initio molecular dynamics simulations of liquid GaAs The Journal of Chemical Physics. 109: 7312-7318. DOI: 10.1063/1.477408 |
0.375 |
|
| 1998 |
Kim H, Chelikowsky JR. Electronic and structural properties of the As vacancy on the (110) surface of GaAs Surface Science. 409: 435-444. DOI: 10.1016/S0039-6028(98)00202-7 |
0.361 |
|
| 1998 |
Chelikowsky JR, Binggeli N. Modeling the properties of quartz with clusters Solid State Communications. 107: 527-531. DOI: 10.1016/S0038-1098(98)00282-8 |
0.364 |
|
| 1998 |
Christie DM, Chelikowsky JR. Electronic and structural properties of GaAsO4 Journal of Physics and Chemistry of Solids. 59: 617-624. DOI: 10.1016/S0022-3697(97)00239-4 |
0.413 |
|
| 1998 |
Dean DW, Chelikowsky JR. First principles calculation of the thermodynamic properties of silicon clusters Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 99: 18-28. DOI: 10.1007/S002140050298 |
0.392 |
|
| 1997 |
Öğüt S, Chelikowsky JR, Louie SG. Quantum Confinement and Optical Gaps in Si Nanocrystals Physical Review Letters. 79: 1770-1773. DOI: 10.1103/Physrevlett.79.1770 |
0.386 |
|
| 1997 |
Vasiliev I, Öğüt S, Chelikowsky JR. Ab initioCalculations for the Polarizabilities of Small Semiconductor Clusters Physical Review Letters. 78: 4805-4808. DOI: 10.1103/Physrevlett.78.4805 |
0.332 |
|
| 1997 |
Öğüt S, Kim H, Chelikowsky JR. Ab initiocluster calculations for vacancies in bulk Si Physical Review B. 56: R11353-R11356. DOI: 10.1103/Physrevb.56.R11353 |
0.332 |
|
| 1997 |
Ö̆güt S, Chelikowsky JR. Structural changes induced upon charging Ge clusters Physical Review B. 55: R4914-R4917. DOI: 10.1103/Physrevb.55.R4914 |
0.424 |
|
| 1996 |
Chelikowsky J, Binggeli N. Atomic and Electronic Structure of Silicon Clusters at Finite Temperature Materials Science Forum. 232: 87-102. DOI: 10.4028/Www.Scientific.Net/Msf.232.87 |
0.391 |
|
| 1996 |
Christie DM, Troullier N, Chelikowsky JR. Electronic and structural properties of α-berlinite (AlPO4) Solid State Communications. 98: 923-926. DOI: 10.1016/0038-1098(96)00766-1 |
0.386 |
|
| 1996 |
Chelikowsky J, Keskar N, Binggeli N. The structural properties of silica using classical and quantum interatomic forces Molecular Engineering. 6. DOI: 10.1007/Bf00161721 |
0.303 |
|
| 1995 |
Binggeli N, Chelikowsky JR. Photoemission spectra and structures of Si clusters at finite temperature. Physical Review Letters. 75: 493-496. PMID 10060035 DOI: 10.1103/Physrevlett.75.493 |
0.322 |
|
| 1995 |
Chelikowsky JR, ÖĞüt S, Jingc X, Wu K, Stathopoulos A, Saad Y. Atomic and Electronic Structure of Germanium Clusters at Finite Temperature Using Finite Difference Methods Mrs Proceedings. 408. DOI: 10.1557/Proc-408-19 |
0.394 |
|
| 1995 |
Jing X, Troullier N, Chelikowsky JR, Wu K, Saad Y. Vibrational modes of silicon nanostructures Solid State Communications. 96: 231-235. DOI: 10.1016/0038-1098(95)00343-6 |
0.369 |
|
| 1995 |
Chelikowsky JR, Troullier N, Jing X, Dean D, Binggeli N, Wu K, Saad Y. Algorithms for predicting the structural properties of clusters Computer Physics Communications. 85: 325-335. DOI: 10.1016/0010-4655(94)00147-T |
0.411 |
|
| 1995 |
Keskar N, Chelikowsky J. Calculated thermodynamic properties of silica polymorphs Physics and Chemistry of Minerals. 22. DOI: 10.1007/Bf00202256 |
0.336 |
|
| 1994 |
Chelikowsky JR, Troullier N, Saad Y. Finite-difference-pseudopotential method: Electronic structure calculations without a basis. Physical Review Letters. 72: 1240-1243. PMID 10056658 DOI: 10.1103/Physrevlett.72.1240 |
0.358 |
|
| 1994 |
Jing X, Troullier N, Dean D, Binggeli N, Chelikowsky JR, Wu K, Saad Y. Ab initio molecular-dynamics simulations of Si clusters using the higher-order finite-difference-pseudopotential method. Physical Review. B, Condensed Matter. 50: 12234-12237. PMID 9975378 DOI: 10.1103/Physrevb.50.12234 |
0.342 |
|
| 1994 |
Binggeli N, Chelikowsky JR. Langevin molecular dynamics with quantum forces: Application to silicon clusters. Physical Review B. 50: 11764-11770. PMID 9975314 DOI: 10.1103/Physrevb.50.11764 |
0.407 |
|
| 1994 |
Jing X, Glassford KM, Chelikowsky JR. Ge cluster formation with monolayer and submonolayer coverages on the GaAs(110) surface Surface Science. 314: 289-299. DOI: 10.1016/0039-6028(94)90013-2 |
0.36 |
|
| 1993 |
Glassford KM, Chelikowsky JR. Electronic and structural properties of RuO2. Physical Review B. 47: 1732-1741. PMID 10006207 DOI: 10.1103/Physrevb.47.1732 |
0.335 |
|
| 1993 |
Glassford KM, Chelikowsky JR. Electronic structure ofTiO2:Ru Physical Review B. 47: 12550-12553. PMID 10005447 DOI: 10.1103/Physrevb.47.12550 |
0.311 |
|
| 1993 |
Chelikowsky JR, Binggeli N, Keskar NR. First principles methods for structural trends in oxides: applications to crystalline silica Journal of Alloys and Compounds. 197: 137-144. DOI: 10.1016/0925-8388(93)90036-M |
0.313 |
|
| 1993 |
Chelikowsky JR, Binggeli N. First principles simulation of liquid silicon Solid State Communications. 88: 381-385. DOI: 10.1016/0038-1098(93)90229-G |
0.332 |
|
| 1993 |
Chelikowsky JR, Binggeli N, Glassford KM. Simulation of silicon clusters from ?quantum? Langevin molecular dynamics Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 26: 51-55. DOI: 10.1007/Bf01429105 |
0.375 |
|
| 1992 |
Binggeli N, Martins JL, Chelikowsky JR. Simulation of Si clusters via Langevin molecular dynamics with quantum forces. Physical Review Letters. 68: 2956-2959. PMID 10045538 DOI: 10.1103/Physrevlett.68.2956 |
0.417 |
|
| 1992 |
Glassford KM, Chelikowsky JR. Structural and electronic properties of titanium dioxide Physical Review B. 46: 1284-1298. PMID 10003766 DOI: 10.1103/Physrevb.46.1284 |
0.407 |
|
| 1992 |
Glassford KM, Chelikowsky JR. Optical properties of titanium dioxide in the rutile structure. Physical Review B. 45: 3874-3877. PMID 10001987 DOI: 10.1103/Physrevb.45.3874 |
0.392 |
|
| 1992 |
Chelikowsky JR. Formation of C60 clusters via Langevin molecular dynamics. Physical Review B. 45: 12062-12070. PMID 10001226 DOI: 10.1103/Physrevb.45.12062 |
0.318 |
|
| 1992 |
Jing X, Chelikowsky JR. Nucleation of carbon clusters via an accretion model Physical Review B. 46: 5028-5031. DOI: 10.1103/Physrevb.46.5028 |
0.354 |
|
| 1992 |
Jing X, Chelikowsky JR. Nucleation of carbon clusters Physical Review B. 46: 15503-15508. DOI: 10.1103/Physrevb.46.15503 |
0.35 |
|
| 1991 |
Chelikowsky JR. Nucleation of C60 clusters. Physical Review Letters. 67: 2970-2973. PMID 10044605 DOI: 10.1103/Physrevlett.67.2970 |
0.312 |
|
| 1991 |
Chelikowsky JR, Troullier N, Martins JL, King HE. Pressure dependence of the structural properties of α-quartz near the amorphous transition Physical Review B. 44: 489-497. PMID 9999149 DOI: 10.1103/Physrevb.44.489 |
0.3 |
|
| 1991 |
Binggeli N, Troullier N, Martins JL, Chelikowsky JR. Electronic properties of alpha -quartz under pressure. Physical Review B. 44: 4771-4777. PMID 9998284 DOI: 10.1103/Physrevb.44.4771 |
0.328 |
|
| 1990 |
Chelikowsky JR, King HE, Glinnemann J. Interatomic potentials and the structural properties of silicon dioxide under pressure. Physical Review B. 41: 10866-10869. PMID 9993504 DOI: 10.1103/Physrevb.41.10866 |
0.31 |
|
| 1990 |
Chelikowsky JR, Glassford KM. Classical Potentials for Covalent Solids and Clusters: Application to Silicon and Silicon Dioxide Mrs Proceedings. 193. DOI: 10.1557/Proc-193-65 |
0.377 |
|
| 1990 |
Truong TN, Truhlar DG, Chelikowsky JR, Chou MY. A new ab initio potential energy surface for hydrogen atom on ruthenium(0001) and its use for variational transition state theory and semiclassical tunneling calculations of the surface diffusion of hydrogen and deuterium The Journal of Physical Chemistry. 94: 1973-1981. DOI: 10.1021/J100368A047 |
0.361 |
|
| 1990 |
Glassford KM, Troullier N, Martins J, Chelikowsky JR. Electronic and structural properties of TiO2 in the rutile structure Solid State Communications. 76: 635-638. DOI: 10.1016/0038-1098(90)90105-K |
0.4 |
|
| 1988 |
Chelikowsky JR. Transition from metallic to covalent structures in silicon clusters. Physical Review Letters. 60: 2669-2672. PMID 10038418 DOI: 10.1103/Physrevlett.60.2669 |
0.312 |
|
| 1987 |
Richardson SL, Cohen ML, Louie SG, Chelikowsky JR. Erratum: Electron charge densities at conduction-band edges of semiconductors Physical Review. B, Condensed Matter. 35: 9308. PMID 9941338 DOI: 10.1103/Physrevb.35.9308.3 |
0.312 |
|
| 1987 |
Chelikowsky J, Redwing R. A semi-empirical total energy method for elemental clusters and solids: Application to the structural properties of silicon clusters Solid State Communications. 64: 843-846. DOI: 10.1016/0038-1098(87)90713-7 |
0.399 |
|
| 1986 |
Chelikowsky JR. Chemical trends in the structural stability of binary crystals. Physical Review B. 34: 5295-5304. PMID 9940360 DOI: 10.1103/Physrevb.34.5295 |
0.303 |
|
| 1986 |
Chelikowsky JR, Chan C, Louie SG. Theoretical study of the electronic, structural, and cohesive properties of ruthenium. Physical Review B. 34: 6656-6661. PMID 9939304 DOI: 10.1103/Physrevb.34.6656 |
0.38 |
|
| 1986 |
Richardson SL, Cohen ML, Louie SG, Chelikowsky JR. Electron charge densities at conduction-band edges of semiconductors. Physical Review. B, Condensed Matter. 33: 1177-1182. PMID 9938383 DOI: 10.1103/Physrevb.33.1177 |
0.334 |
|
| 1986 |
Chan CT, Vanderbilt DH, Louie SG, Chelikowsky JR. Theoretical study of the cohesive and structural properties of Mo and W in bcc, fcc, and hcp structures Physical Review B. 33: 7941-7946. PMID 9938184 DOI: 10.1103/Physrevb.33.7941 |
0.342 |
|
| 1985 |
Holzwarth N, Chelikowsky J. Bulk and surface electron states in ruthenium Solid State Communications. 53: 171-174. DOI: 10.1016/0038-1098(85)90119-X |
0.322 |
|
| 1984 |
Chelikowsky JR, Cohen ML. Erratum: Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors Physical Review B. 30: 4828-4828. DOI: 10.1103/Physrevb.30.4828 |
0.377 |
|
| 1984 |
Chelikowsky JR, Louie SG. First-principles linear combination of atomic orbitals method for the cohesive and structural properties of solids: Application to diamond Physical Review B. 29: 3470-3481. DOI: 10.1103/Physrevb.29.3470 |
0.366 |
|
| 1984 |
Chelikowsky JR, Louie SG, Vanderbilt D, Chan CT. Total energy method for solids and solid surfaces International Journal of Quantum Chemistry. 26: 105-120. DOI: 10.1002/Qua.560260814 |
0.341 |
|
| 1981 |
Northrup JE, Cohen ML, Chelikowsky JR, Spence J, Olsen A. Electronic structure of the unreconstructed 30° partial dislocation in silicon Physical Review B. 24: 4623-4628. DOI: 10.1103/Physrevb.24.4623 |
0.302 |
|
| 1980 |
Chelikowsky JR. "Thomas-Fermi-pseudopotential" approach for calculating the static properties of simple metals Physical Review B. 21: 3074-3086. DOI: 10.1103/Physrevb.21.3074 |
0.305 |
|
| 1979 |
Chelikowsky JR, Cohen ML. Abstract: The (110) surface of GaAs Journal of Vacuum Science and Technology. 16: 1307-1307. DOI: 10.1116/1.570147 |
0.326 |
|
| 1979 |
Chelikowsky JR, Cohen ML. Self-consistent pseudopotential calculation for the relaxed (110) surface of GaAs Physical Review B. 20: 4150-4159. DOI: 10.1103/Physrevb.20.4150 |
0.362 |
|
| 1979 |
Chelikowsky JR. Solid solubilities in divalent alloys Physical Review B. 19: 686-701. DOI: 10.1103/Physrevb.19.686 |
0.311 |
|
| 1979 |
Chelikowsky J, Cohen M. Electronic states on the relaxed (110) surface of GaAs Solid State Communications. 29: 267-271. DOI: 10.1016/0038-1098(79)91053-6 |
0.354 |
|
| 1978 |
Chelikowsky JR, Phillips JC. Quantum-defect theory of heats of formation and structural transition energies of liquid and solid simple metal alloys and compounds Physical Review B. 17: 2453-2477. DOI: 10.1103/Physrevb.17.2453 |
0.333 |
|
| 1978 |
Pearsall TP, Capasso F, Nahory RE, Pollack MA, Chelikowsky JR. The band structure dependence of impact ionization by hot carriers in semiconductors: GaAs Solid State Electronics. 21: 297-302. DOI: 10.1016/0038-1101(78)90151-X |
0.337 |
|
| 1977 |
Chelikowsky JR. Electronic structure of Al chemisorbed on the Si (111) surface Physical Review B. 16: 3618-3627. DOI: 10.1103/Physrevb.16.3618 |
0.304 |
|
| 1977 |
Louie SG, Ho K, Chelikowsky JR, Cohen ML. Self-consistent pseudopotential calculations for the ideal (001) surface of Nb Physical Review B. 15: 5627-5635. DOI: 10.1103/Physrevb.15.5627 |
0.348 |
|
| 1977 |
Chelikowsky JR, Schlüter M. Electron states inα-quartz: A self-consistent pseudopotential calculation Physical Review B. 15: 4020-4029. DOI: 10.1103/Physrevb.15.4020 |
0.322 |
|
| 1977 |
Louie SG, Chelikowsky JR, Cohen ML. Ionicity and the theory of Schottky barriers Physical Review B. 15: 2154-2162. DOI: 10.1103/Physrevb.15.2154 |
0.34 |
|
| 1977 |
Ho KM, Louie SG, Chelikowsky JR, Cohen ML. Self-consistent pseudopotential calculation of the electronic structure of Nb Physical Review B. 15: 1755-1759. DOI: 10.1103/Physrevb.15.1755 |
0.39 |
|
| 1977 |
Chelikowsky JR. An oxygen pseudopotential: Application to the electronic structure of ZnO Solid State Communications. 22: 351-354. DOI: 10.1016/0038-1098(77)91064-X |
0.381 |
|
| 1977 |
Schluter M, Chelikowsky J. Electron states in α-quartz (SiO2) Solid State Communications. 21: 381-384. DOI: 10.1016/0038-1098(77)90322-2 |
0.331 |
|
| 1977 |
Chelikowsky JR, Schlüter M, Cohen ML. Semi-Empirical Pseudopotential Calculation for the Electronic Structure of Polymeric Sulfur Nitride Physica Status Solidi (B). 82: 357-367. DOI: 10.1002/Pssb.2220820141 |
0.409 |
|
| 1976 |
Louie SG, Chelikowsky JR, Cohen ML. Theory of semiconductor surface states and metal–semiconductor interfaces Journal of Vacuum Science and Technology. 13: 790-797. DOI: 10.1116/1.568991 |
0.358 |
|
| 1976 |
Louie SG, Ho K, Chelikowsky JR, Cohen ML. Surface States on the (001) Surface of Nb Physical Review Letters. 37: 1289-1292. DOI: 10.1103/Physrevlett.37.1289 |
0.323 |
|
| 1976 |
Schlüter M, Chelikowsky JR, Cohen ML. Electronic Properties of Polymeric Surfur Nitride. Physical Review Letters. 36: 452-453. DOI: 10.1103/Physrevlett.36.452 |
0.316 |
|
| 1976 |
Chelikowsky JR, Cohen ML. Pseudopotential Valence Charge Densities in Homopolar and Heteropolar Semiconductors Physical Review Letters. 36: 229-231. DOI: 10.1103/Physrevlett.36.229 |
0.357 |
|
| 1976 |
Chelikowsky JR, Cohen ML. Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors Physical Review B. 14: 556-582. DOI: 10.1103/Physrevb.14.556 |
0.4 |
|
| 1975 |
Schlüter M, Chelikowsky JR, Cohen ML. Electronic Properties of Polymeric Sulfur Nitride Physical Review Letters. 35: 869-872. DOI: 10.1103/Physrevlett.35.869 |
0.384 |
|
| 1975 |
Schlüter M, Chelikowsky JR, Louie SG, Cohen ML. Self-Consistent Pseudopotential Calculations on Si(111) Unreconstructed and (2×1) Reconstructed Surfaces Physical Review Letters. 34: 1385-1388. DOI: 10.1103/Physrevlett.34.1385 |
0.338 |
|
| 1975 |
Cohen ML, Schlüter M, Chelikowsky JR, Louie SG. Self-consistent pseudopotential method for localized configurations: Molecules Physical Review B. 12: 5575-5579. DOI: 10.1103/Physrevb.12.5575 |
0.357 |
|
| 1975 |
Schlüter M, Chelikowsky JR, Louie SG, Cohen ML. Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1×1) and reconstructed (2×1) model structures Physical Review B. 12: 4200-4214. DOI: 10.1103/Physrevb.12.4200 |
0.363 |
|
| 1975 |
Schlüter M, Chelikowsky JR, Cohen ML. The electronic configuration of Si(111) (2 × 1) reconstructed surfaces Physics Letters A. 53: 217-218. DOI: 10.1016/0375-9601(75)90412-0 |
0.32 |
|
| 1975 |
Chelikowsky J, Schlüter M, Louie S, Cohen M. Self-consistent pseudopotential calculation for the (111) surface of aluminum Solid State Communications. 17: 1103-1106. DOI: 10.1016/0038-1098(75)90264-1 |
0.322 |
|
| 1974 |
Chelikowsky JR, Cohen ML. Electronic Charge Densities and the Temperature Dependence of the Forbidden (222) Reflection in Silicon and Germanium Physical Review Letters. 33: 1339-1342. DOI: 10.1103/Physrevlett.33.1339 |
0.319 |
|
| 1974 |
Chelikowsky JR, Cohen ML. Electronic Structure of GaAs Physical Review Letters. 32: 674-677. DOI: 10.1103/Physrevlett.32.674 |
0.349 |
|
| 1974 |
Chelikowsky JR, Cohen ML. Electronic structure of silicon Physical Review B. 10: 5095-5107. DOI: 10.1103/Physrevb.10.5095 |
0.319 |
|
| 1974 |
Chelikowsky J, Cohen M. Calculated valence band density of states and reflectivity for ZnSe Physics Letters A. 47: 7-8. DOI: 10.1016/0375-9601(74)90081-4 |
0.352 |
|
| 1973 |
Chelikowsky J, Chadi DJ, Cohen ML. Calculated Valence-Band Densities of States and Photoemission Spectra of Diamond and Zinc-Blende Semiconductors Physical Review B. 8: 2786-2794. DOI: 10.1103/Physrevb.8.2786 |
0.331 |
|
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