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Eberhard KU Gross, Ph.D. - Publications

Affiliations: 
1980-1984 Physics Goethe-Universität Frankfurt am Main, Frankfurt am Main, Hessen, Germany 
 1984-1990 Physics University of California, Santa Barbara, Santa Barbara, CA, United States 
 1990-2001 Physics University of Würzburg, Würzburg, Bayern, Germany 
 2001-2009 Physics Freie Universität Berlin, Berlin, Germany 
 2009- Physics Max Planck Institute of Microstructure Physics 
Website:
http://www2.mpi-halle.mpg.de/theory_department/prof_dr_e_k_u_gross/cv/resume/
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45 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
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  0.312
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  0.618
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  0.371
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  0.324
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  0.601
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  0.397
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  0.306
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  0.548
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  0.646
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  0.373
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  0.332
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  0.631
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  0.357
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  0.444
1996 Petersilka M, Gossmann UJ, Gross EK. Excitation energies from time-dependent density-functional theory. Physical Review Letters. 76: 1212-1215. PMID 10061664  0.377
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  0.309
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  0.367
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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