Year |
Citation |
Score |
2017 |
Perdew JP, Yang W, Burke K, Yang Z, Gross EK, Scheffler M, Scuseria GE, Henderson TM, Zhang IY, Ruzsinszky A, Peng H, Sun J, Trushin E, Görling A. Understanding band gaps of solids in generalized Kohn-Sham theory. Proceedings of the National Academy of Sciences of the United States of America. PMID 28265085 DOI: 10.1073/Pnas.1621352114 |
0.574 |
|
2016 |
Schild A, Agostini F, Gross EK. Electronic Flux Density Beyond the Born-Oppenheimer Approximation. The Journal of Physical Chemistry. A. PMID 26878256 DOI: 10.1021/acs.jpca.5b12657 |
0.415 |
|
2015 |
Sharma S, Dewhurst JK, Shallcross S, Madjarova GK, Gross EK. Excitons in Organics Using Time-Dependent Density Functional Theory: PPV, Pentacene, and Picene. Journal of Chemical Theory and Computation. 11: 1710-4. PMID 26574381 DOI: 10.1021/acs.jctc.5b00133 |
0.313 |
|
2015 |
Shinohara Y, Sharma S, Shallcross S, Lathiotakis NN, Gross EK. Spectrum for Nonmagnetic Mott Insulators from Power Functional within Reduced Density Matrix Functional Theory. Journal of Chemical Theory and Computation. 11: 4895-9. PMID 26574277 DOI: 10.1021/acs.jctc.5b00661 |
0.328 |
|
2015 |
Suzuki Y, Abedi A, Maitra NT, Gross EK. Laser-induced electron localization in H2(+): mixed quantum-classical dynamics based on the exact time-dependent potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 26467353 DOI: 10.1039/C5Cp03418C |
0.616 |
|
2015 |
Linscheid A, Sanna A, Floris A, Gross EK. First-Principles Calculation of the Real-Space Order Parameter and Condensation Energy Density in Phonon-Mediated Superconductors. Physical Review Letters. 115: 097002. PMID 26371675 |
0.327 |
|
2015 |
Min SK, Agostini F, Gross EK. Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes. Physical Review Letters. 115: 073001. PMID 26317716 DOI: 10.1103/PhysRevLett.115.073001 |
0.37 |
|
2015 |
Scherrer A, Agostini F, Sebastiani D, Gross EK, Vuilleumier R. Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function. The Journal of Chemical Physics. 143: 074106. PMID 26298114 DOI: 10.1063/1.4928578 |
0.323 |
|
2015 |
Agostini F, Abedi A, Suzuki Y, Min SK, Maitra NT, Gross EK. The exact forces on classical nuclei in non-adiabatic charge transfer. The Journal of Chemical Physics. 142: 084303. PMID 25725727 DOI: 10.1063/1.4908133 |
0.599 |
|
2014 |
Min SK, Abedi A, Kim KS, Gross EK. Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation? Physical Review Letters. 113: 263004. PMID 25615322 DOI: 10.1103/Physrevlett.113.263004 |
0.404 |
|
2014 |
Sharma S, Dewhurst JK, Gross EK. Optical response of extended systems using time-dependent density functional theory. Topics in Current Chemistry. 347: 235-57. PMID 24647840 DOI: 10.1007/128_2014_529 |
0.398 |
|
2014 |
Gidopoulos NI, Gross EK. Electronic non-adiabatic states: towards a density functional theory beyond the Born-Oppenheimer approximation. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 372: 20130059. PMID 24516183 DOI: 10.1098/rsta.2013.0059 |
0.348 |
|
2014 |
Pribram-Jones A, Pittalis S, Gross E, Burke K. Thermal density functional theory in context Lecture Notes in Computational Science and Engineering. 96: 25-60. DOI: 10.1007/978-3-319-04912-0__2 |
0.307 |
|
2013 |
Abedi A, Maitra NT, Gross EK. Response to "Comment on 'Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction"' [J. Chem. Phys. 139, 087101 (2013)]. The Journal of Chemical Physics. 139: 087102. PMID 24007042 DOI: 10.1063/1.4818523 |
0.546 |
|
2013 |
Abedi A, Agostini F, Suzuki Y, Gross EK. Dynamical steps that bridge piecewise adiabatic shapes in the exact time-dependent potential energy surface. Physical Review Letters. 110: 263001. PMID 23848868 |
0.364 |
|
2012 |
Abedi A, Maitra NT, Gross EK. Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction. The Journal of Chemical Physics. 137: 22A530. PMID 23249067 DOI: 10.1063/1.4745836 |
0.645 |
|
2012 |
Castro A, Werschnik J, Gross EK. Controlling the dynamics of many-electron systems from first principles: a combination of optimal control and time-dependent density-functional theory. Physical Review Letters. 109: 153603. PMID 23102307 |
0.342 |
|
2012 |
Hellgren M, Gross EK. Effect of discontinuities in Kohn-Sham-based chemical reactivity theory. The Journal of Chemical Physics. 136: 114102. PMID 22443744 DOI: 10.1063/1.3694103 |
0.374 |
|
2012 |
Hellgren M, Rohr DR, Gross EK. Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation. The Journal of Chemical Physics. 136: 034106. PMID 22280743 DOI: 10.1063/1.3676174 |
0.333 |
|
2011 |
Sharma S, Dewhurst JK, Sanna A, Gross EK. Bootstrap approximation for the exchange-correlation kernel of time-dependent density-functional theory. Physical Review Letters. 107: 186401. PMID 22107651 |
0.319 |
|
2011 |
Pittalis S, Proetto CR, Floris A, Sanna A, Bersier C, Burke K, Gross EK. Exact conditions in finite-temperature density-functional theory. Physical Review Letters. 107: 163001. PMID 22107376 DOI: 10.1103/Physrevlett.107.163001 |
0.587 |
|
2011 |
Cangi A, Lee D, Elliott P, Burke K, Gross EK. Electronic structure via potential functional approximations. Physical Review Letters. 106: 236404. PMID 21770528 DOI: 10.1103/Physrevlett.106.236404 |
0.66 |
|
2010 |
Abedi A, Maitra NT, Gross EK. Exact factorization of the time-dependent electron-nuclear wave function. Physical Review Letters. 105: 123002. PMID 20867633 DOI: 10.1103/Physrevlett.105.123002 |
0.63 |
|
2010 |
Kurth S, Stefanucci G, Khosravi E, Verdozzi C, Gross EK. Dynamical Coulomb blockade and the derivative discontinuity of time-dependent density functional theory. Physical Review Letters. 104: 236801. PMID 20867260 |
0.4 |
|
2009 |
Gross EK, Proetto CR. Adiabatic Connection and the Kohn-Sham Variety of Potential-Functional Theory. Journal of Chemical Theory and Computation. 5: 844-849. PMID 26609591 DOI: 10.1021/ct9000334 |
0.329 |
|
2009 |
Lathiotakis NN, Helbig N, Zacarias A, Gross EK. A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems. The Journal of Chemical Physics. 130: 064109. PMID 19222269 DOI: 10.1063/1.3073053 |
0.337 |
|
2008 |
Thiele M, Gross EK, Kümmel S. Adiabatic approximation in nonperturbative time-dependent density-functional theory. Physical Review Letters. 100: 153004. PMID 18518104 |
0.443 |
|
2007 |
Pittalis S, Kurth S, Sharma S, Gross EK. Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem. The Journal of Chemical Physics. 127: 124103. PMID 17902889 DOI: 10.1063/1.2777140 |
0.365 |
|
2005 |
Scherz A, Gross EK, Appel H, Sorg C, Baberschke K, Wende H, Burke K. Measuring the kernel of time-dependent density functional theory with x-ray absorption spectroscopy of transition metals. Physical Review Letters. 95: 253006. PMID 16384459 DOI: 10.1103/Physrevlett.95.253006 |
0.536 |
|
2005 |
Burke K, Werschnik J, Gross EK. Time-dependent density functional theory: past, present, and future. The Journal of Chemical Physics. 123: 62206. PMID 16122292 DOI: 10.1063/1.1904586 |
0.601 |
|
2004 |
Erdmann M, Gross EK, Engel V. Time-dependent electron localization functions for coupled nuclear-electronic motion. The Journal of Chemical Physics. 121: 9666-70. PMID 15538889 DOI: 10.1063/1.1806812 |
0.356 |
|
2004 |
Marques MA, Gross EK. Time-dependent density functional theory. Annual Review of Physical Chemistry. 55: 427-55. PMID 15117259 DOI: 10.1146/annurev.physchem.55.091602.094449 |
0.365 |
|
2003 |
Appel H, Gross EK, Burke K. Excitations in time-dependent density-functional theory. Physical Review Letters. 90: 043005. PMID 12570418 DOI: 10.1103/Physrevlett.90.043005 |
0.591 |
|
2002 |
Gidopoulos NI, Papaconstantinou PG, Gross EK. Spurious interactions, and their correction, in the ensemble-Kohn-Sham scheme for excited States. Physical Review Letters. 88: 033003. PMID 11801057 |
0.356 |
|
2001 |
Kreibich T, Gross EK. Multicomponent density-functional theory for electrons and nuclei. Physical Review Letters. 86: 2984-7. PMID 11290088 DOI: 10.1103/PhysRevLett.86.2984 |
0.445 |
|
1996 |
Petersilka M, Gossmann UJ, Gross EK. Excitation energies from time-dependent density-functional theory. Physical Review Letters. 76: 1212-1215. PMID 10061664 |
0.378 |
|
1996 |
Erhard S, Gross EK. Scaling and virial theorems in current-density-functional theory. Physical Review. A. 53: R5-R8. PMID 9912928 DOI: 10.1103/PhysRevA.53.R5 |
0.31 |
|
1995 |
Ullrich CA, Gossmann UJ, Gross EK. Time-dependent optimized effective potential. Physical Review Letters. 74: 872-875. PMID 10058870 DOI: 10.1103/Physrevlett.74.872 |
0.343 |
|
1994 |
Wacker O, Kümmel R, Gross EK. Time-dependent density-functional theory for superconductors. Physical Review Letters. 73: 2915-2918. PMID 10057228 DOI: 10.1103/PhysRevLett.73.2915 |
0.368 |
|
1988 |
Oliveira LN, Gross EK, Kohn W. Density-functional theory for superconductors. Physical Review Letters. 60: 2430-2433. PMID 10038349 DOI: 10.1103/Physrevlett.60.2430 |
0.624 |
|
1988 |
Oliveira LN, Gross EK, Kohn W. Density-functional theory for ensembles of fractionally occupied states. II. Application to the He atom. Physical Review. A. 37: 2821-2833. PMID 9900010 DOI: 10.1103/Physreva.37.2821 |
0.595 |
|
1988 |
Gross EK, Oliveira LN, Kohn W. Density-functional theory for ensembles of fractionally occupied states. I. Basic formalism. Physical Review. A. 37: 2809-2820. PMID 9900009 DOI: 10.1103/Physreva.37.2809 |
0.568 |
|
1988 |
Gross EK, Oliveira LN, Kohn W. Rayleigh-Ritz variational principle for ensembles of fractionally occupied states. Physical Review. A. 37: 2805-2808. PMID 9900008 DOI: 10.1103/Physreva.37.2805 |
0.443 |
|
1985 |
Gross EK, Kohn W. Local density-functional theory of frequency-dependent linear response. Physical Review Letters. 55: 2850-2852. PMID 10032255 DOI: 10.1103/Physrevlett.55.2850 |
0.54 |
|
1976 |
Gross E, Dreizler RM. Thomas-Fermi potentials for quasimolecular collision processes Physics Letters A. 57: 131-134. DOI: 10.1016/0375-9601(76)90188-2 |
0.541 |
|
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