Eberhard KU Gross, Ph.D. - Publications

Affiliations: 
1980-1984 Physics Goethe-Universität Frankfurt am Main, 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/

123 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
2018 Dewhurst J, Elliott P, Shallcross S, Gross EKU, Sharma S. Laser induced inter-site spin transfer. Nano Letters. PMID 29424230 DOI: 10.1021/acs.nanolett.7b05118  0.32
2018 Sharma S, Gross EKU, Sanna A, Dewhurst JK. Source-free exchange-correlation magnetic fields in density functional theory. Journal of Chemical Theory and Computation. PMID 29420031 DOI: 10.1021/acs.jctc.7b01049  0.44
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  0.44
2016 Agostini F, Min SK, Abedi A, Gross EK. Quantum-Classical Non-Adiabatic Dynamics: Coupled- vs. Independent-Trajectory Methods. Journal of Chemical Theory and Computation. PMID 27030209 DOI: 10.1021/acs.jctc.5b01180  0.32
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  0.32
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  0.32
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  0.44
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  0.32
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  0.32
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  0.32
2015 Linscheid A, Sanna A, Gross EKU. Ab initio theory of superconductivity in a magnetic field. II. Numerical solution Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.024506  0.44
2015 Linscheid A, Sanna A, Essenberger F, Gross EKU. Ab initio theory of superconductivity in a magnetic field. I. Spin density functional theory for superconductors and Eliashberg equations Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.024505  0.44
2015 Romero AH, Gross EKU, Verstraete MJ, Hellman O. Thermal conductivity in PbTe from first principles Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.214310  0.44
2015 Sharma S, Dewhurst JK, Shallcross S, Madjarova GK, Gross EKU. Excitons in organics using time-dependent density functional theory: PPV, pentacene, and picene Journal of Chemical Theory and Computation. 11: 1710-1714. DOI: 10.1021/acs.jctc.5b00133  0.44
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  0.48
2014 Agostini F, Abedi A, Gross EK. Classical nuclear motion coupled to electronic non-adiabatic transitions. The Journal of Chemical Physics. 141: 214101. PMID 25481123 DOI: 10.1063/1.4902225  0.48
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  0.48
2014 Abedi A, Agostini F, Gross EKU. Mixed quantum-classical dynamics from the exact decomposition of electron-nuclear motion Epl. 106. DOI: 10.1209/0295-5075/106/33001  0.48
2014 Essenberger F, Sanna A, Linscheid A, Tandetzky F, Profeta G, Cudazzo P, Gross EKU. Superconducting pairing mediated by spin fluctuations from first principles Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.214504  0.44
2014 Mirhosseini H, Cangi A, Baldsiefen T, Sanna A, Proetto CR, Gross EKU. Virial theorem and exact properties of density functionals for periodic systems Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.220102  0.48
2014 Schütt KT, Glawe H, Brockherde F, Sanna A, Müller KR, Gross EKU. How to represent crystal structures for machine learning: Towards fast prediction of electronic properties Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.205118  0.48
2014 Suzuki Y, Abedi A, Maitra NT, Yamashita K, Gross EKU. Electronic Schrödinger equation with nonclassical nuclei Physical Review a - Atomic, Molecular, and Optical Physics. 89. DOI: 10.1103/PhysRevA.89.040501  0.48
2014 Gidopoulos NI, Gross EKU. Electronic non-adiabatic states: Towards a density functional theory beyond the Born-Oppenheimer approximation Philosophical Transactions of the Royal Society a: Mathematical, Physical and Engineering Sciences. 372. DOI: 10.1098/rsta.2013.0059  0.44
2014 Castro A, Gross EKU. Optimal control theory for quantum-classical systems: Ehrenfest molecular dynamics based on time-dependent density-functional theory Journal of Physics a: Mathematical and Theoretical. 47. DOI: 10.1088/1751-8113/47/2/025204  0.44
2014 Agostini F, Abedi A, Gross EKU. Classical nuclear motion coupled to electronic non-adiabatic transitions Journal of Chemical Physics. 141. DOI: 10.1063/1.4902225  0.48
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  0.48
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  0.48
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  0.48
2013 Eich FG, Gross EKU. Transverse spin-gradient functional for noncollinear spin-density- functional theory Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.156401  0.44
2013 Abedi A, Agostini F, Suzuki Y, Gross EKU. Dynamical steps that bridge piecewise adiabatic shapes in the exact time-dependent potential energy surface Physical Review Letters. 110. DOI: 10.1103/PhysRevLett.110.263001  0.48
2013 Sharma S, Dewhurst JK, Shallcross S, Gross EKU. Spectral density and metal-insulator phase transition in mott insulators within reduced density matrix functional theory Physical Review Letters. 110. DOI: 10.1103/PhysRevLett.110.116403  0.44
2013 Cangi A, Gross EKU, Burke K. Potential functionals versus density functionals Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/PhysRevA.88.062505  0.48
2013 Hellgren M, Gross EKU. Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/PhysRevA.88.052507  0.44
2013 Hellgren M, Räsänen E, Gross EKU. Optimal control of strong-field ionization with time-dependent density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/PhysRevA.88.013414  0.44
2013 Agostini F, Abedi A, Suzuki Y, Gross EKU. Mixed quantum-classical dynamics on the exact time-dependent potential energy surface: A fresh look at non-adiabatic processes Molecular Physics. 111: 3625-3640. DOI: 10.1080/00268976.2013.843731  0.48
2013 Baldsiefen T, Gross EKU. Minimization procedure in reduced density matrix functional theory by means of an effective noninteracting system Computational and Theoretical Chemistry. 1003: 114-122. DOI: 10.1016/j.comptc.2012.09.001  0.44
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  0.48
2012 Castro A, Werschnik J, Gross EKU. 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. DOI: 10.1103/PhysRevLett.109.153603  0.44
2012 Essenberger F, Buczek P, Ernst A, Sandratskii L, Gross EKU. Paramagnons in FeSe close to a magnetic quantum phase transition: Ab initio study Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.060412  0.44
2012 Sanna A, Profeta G, Massidda S, Gross EKU. First-principles study of rare-earth-doped superconducting CaFe 2As 2 Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.014507  0.44
2012 Sanna A, Pittalis S, Dewhurst JK, Monni M, Sharma S, Ummarino G, Massidda S, Gross EKU. Phononic self-energy effects and superconductivity in CaC 6 Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.184514  0.44
2012 Khosravi E, Uimonen AM, Stan A, Stefanucci G, Kurth S, Van Leeuwen R, Gross EKU. Correlation effects in bistability at the nanoscale: Steady state and beyond Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.075103  0.44
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  0.48
2012 Zarkadoula EN, Sharma S, Dewhurst JK, Gross EKU, Lathiotakis NN. Ionization potentials and electron affinities from reduced-density-matrix functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 85. DOI: 10.1103/PhysRevA.85.032504  0.44
2012 Hellgren M, Gross EKU. Discontinuities of the exchange-correlation kernel and charge-transfer excitations in time-dependent density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 85. DOI: 10.1103/PhysRevA.85.022514  0.44
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  0.44
2012 Hellgren M, Gross EKU. Effect of discontinuities in Kohn-Sham-based chemical reactivity theory Journal of Chemical Physics. 136. DOI: 10.1063/1.3694103  0.44
2012 Hellgren M, Rohr DR, Gross EKU. Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation Journal of Chemical Physics. 136. DOI: 10.1063/1.3676174  0.44
2012 Marques MAL, Maitra NT, Nogueira FMS, Gross EKU, Rubio A. Fundamentals of time-dependent density functional theory Lecture Notes in Physics. 837: 1-559.  0.48
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  0.44
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  0.44
2011 Cangi A, Lee D, Elliott P, Burke K, Gross EK. Electronic structure via potential functional approximations. Physical Review Letters. 106: 236404. PMID 21770528  0.44
2011 Sharma S, Dewhurst JK, Sanna A, Gross EKU. Bootstrap approximation for the exchange-correlation kernel of time-dependent density-functional theory Physical Review Letters. 107. DOI: 10.1103/PhysRevLett.107.186401  0.44
2011 Pittalis S, Proetto CR, Floris A, Sanna A, Bersier C, Burke K, Gross EKU. Exact conditions in finite-temperature density-functional theory Physical Review Letters. 107. DOI: 10.1103/PhysRevLett.107.163001  0.44
2011 Cangi A, Lee D, Elliott P, Burke K, Gross EKU. Electronic structure via potential functional approximations Physical Review Letters. 106. DOI: 10.1103/PhysRevLett.106.236404  0.48
2011 Essenberger F, Sharma S, Dewhurst JK, Bersier C, Cricchio F, Nordström L, Gross EKU. Magnon spectrum of transition-metal oxides: Calculations including long-range magnetic interactions using the LSDA+U method Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.174425  0.44
2011 Floris A, De Gironcoli S, Gross EKU, Cococcioni M. Vibrational properties of MnO and NiO from DFT +U-based density functional perturbation theory Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.161102  0.48
2011 Uimonen AM, Khosravi E, Stan A, Stefanucci G, Kurth S, Van Leeuwen R, Gross EKU. Comparative study of many-body perturbation theory and time-dependent density functional theory in the out-of-equilibrium Anderson model Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.115103  0.44
2011 Sanna A, Bernardini F, Profeta G, Sharma S, Dewhurst JK, Lucarelli A, Degiorgi L, Gross EKU, Massidda S. Theoretical investigation of optical conductivity in Ba(Fe 1-xCo x) 2As 2 Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.054502  0.44
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  0.48
2011 Krieger K, Castro A, Gross EKU. Optimization schemes for selective molecular cleavage with tailored ultrashort laser pulses Chemical Physics. 391: 50-61. DOI: 10.1016/j.chemphys.2011.04.014  0.48
2010 Abedi A, Maitra NT, Gross EK. Exact factorization of the time-dependent electron-nuclear wave function. Physical Review Letters. 105: 123002. PMID 20867633  0.48
2010 Lathiotakis NN, Sharma S, Helbig N, Dewhurst JK, Marques MAL, Eich F, Baldsiefen T, Zacarias A, Gross EKU. Discontinuities of the chemical potential in reduced density matrix functional theory Zeitschrift Fur Physikalische Chemie. 224: 467-480. DOI: 10.1524/zpch.2010.6118  0.44
2010 Appel H, Gross EKU. Time-dependent natural orbitals and occupation numbers Epl. 92. DOI: 10.1209/0295-5075/92/23001  0.48
2010 Abedi A, Maitra NT, Gross EKU. Exact factorization of the time-dependent electron-nuclear wave function Physical Review Letters. 105. DOI: 10.1103/PhysRevLett.105.123002  0.48
2010 Kurth S, Stefanucci G, Khosravi E, Verdozzi C, Gross EKU. Dynamical Coulomb blockade and the derivative discontinuity of time-dependent density functional theory Physical Review Letters. 104. DOI: 10.1103/PhysRevLett.104.236801  0.44
2010 Cudazzo P, Profeta G, Sanna A, Floris A, Continenza A, Massidda S, Gross EKU. Electron-phonon interaction and superconductivity in metallic molecular hydrogen. I. Electronic and dynamical properties under pressure Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.134505  0.44
2010 Monni M, Bernardini F, Profeta G, Sanna A, Sharma S, Dewhurst JK, Bersier C, Continenza A, Gross EKU, Massidda S. Static and dynamical susceptibility of LaO1-xFxFeAs Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.104503  0.44
2010 Eich FG, Kurth S, Proetto CR, Sharma S, Gross EKU. Noncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.024430  0.44
2010 Zacarias AG, Gross EKU. Transport properties of chrysazine-type molecules Theoretical Chemistry Accounts. 125: 535-541. DOI: 10.1007/s00214-009-0683-0  0.44
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  0.44
2009 Bersier C, Floris A, Cudazzo P, Profeta G, Sanna A, Bernardini F, Monni M, Pittalis S, Sharma S, Glawe H, Continenza A, Massidda S, Gross EK. Multiband superconductivity in Pb, H under pressure and CaBeSi from ab initio calculations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 164209. PMID 21825389 DOI: 10.1088/0953-8984/21/16/164209  0.44
2009 Castro A, Räsänen E, Rubio A, Gross EKU. Femtosecond laser pulse shaping for enhanced ionization Epl. 87. DOI: 10.1209/0295-5075/87/53001  0.44
2009 Castro A, Gross EKU. Acceleration of quantum optimal control theory algorithms with mixing strategies Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 79. DOI: 10.1103/PhysRevE.79.056704  0.44
2009 Sharma S, Shallcross S, Dewhurst JK, Sanna A, Bersier C, Massidda S, Gross EKU. Magnetism in CeFeAsO1-x Fx and LaFeAsO1-x Fx from first principles Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.184502  0.44
2009 Räsänen E, Pittalis S, Proetto CR, Gross EKU. Electronic exchange in quantum rings: Beyond the local-density approximation Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.121305  0.44
2009 Bersier C, Floris A, Sanna A, Profeta G, Continenza A, Gross EKU, Massidda S. Electronic, vibrational, and superconducting properties of CaBeSi: First-principles calculations Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.104503  0.44
2009 Pittalis S, Räsänen E, Proetto CR, Gross EKU. Correlation energy of finite two-dimensional systems: Toward nonempirical and universal modeling Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.085316  0.44
2009 Pittalis S, Räsänen E, Gross EKU. Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems Physical Review a - Atomic, Molecular, and Optical Physics. 80. DOI: 10.1103/PhysRevA.80.032515  0.44
2009 Lathiotakis NN, Sharma S, Dewhurst JK, Eich FG, Marques MAL, Gross EKU. Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/PhysRevA.79.040501  0.44
2009 Helbig N, Lathiotakis NN, Gross EKU. Discontinuity of the chemical potential in reduced-density-matrix- functional theory for open-shell systems Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/PhysRevA.79.022504  0.44
2009 Bersier C, Floris A, Cudazzo P, Profeta G, Sanna A, Bernardini F, Monni M, Pittalis S, Sharma S, Glawe H, Continenza A, Massidda S, Gross EKU. Multiband superconductivity in Pb, H under pressure and CaBeSi from ab initio calculations Journal of Physics Condensed Matter. 21. DOI: 10.1088/0953-8984/21/16/164209  0.44
2009 Massidda S, Bernardini F, Bersier C, Continenza A, Cudazzo P, Floris A, Glawe H, Monni M, Pittalis S, Profeta G, Sanna A, Sharma S, Gross EKU. The role of Coulomb interaction in the superconducting properties of CaC6 and H under pressure Superconductor Science and Technology. 22. DOI: 10.1088/0953-2048/22/3/034006  0.44
2009 Lathiotakis NN, Helbig N, Zacarias A, Gross EKU. A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems Journal of Chemical Physics. 130. DOI: 10.1063/1.3073053  0.44
2009 Khosravi E, Stefanucci G, Kurth S, Gross EKU. Bound states in time-dependent quantum transport: Oscillations and memory effects in current and density Physical Chemistry Chemical Physics. 11: 4535-4538. DOI: 10.1039/b906528h  0.44
2009 Gross EKU, Proetto CR. Adiabatic connection and the kohn-sham variety of potential-functional theory Journal of Chemical Theory and Computation. 5: 844-849. DOI: 10.1021/ct9000334  0.44
2008 Cudazzo P, Profeta G, Sanna A, Floris A, Continenza A, Massidda S, Gross EK. Ab initio description of high-temperature superconductivity in dense molecular hydrogen. Physical Review Letters. 100: 257001. PMID 18643693  0.44
2008 Cudazzo P, Profeta G, Sanna A, Floris A, Continenza A, Massidda S, Gross EKU. Ab initio description of high-temperature superconductivity in dense molecular hydrogen Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.257001  0.44
2008 Thiele M, Gross EKU, Kümmel S. Adiabatic approximation in nonperturbative time-dependent density-functional theory Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.153004  0.48
2008 Sharma S, Dewhurst JK, Lathiotakis NN, Gross EKU. Reduced density matrix functional for many-electron systems Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.201103  0.44
2008 Helbig N, Kurth S, Pittalis S, Räsänen E, Gross EKU. Exchange-correlation orbital functionals in current-density functional theory: Application to a quantum dot in magnetic fields Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.245106  0.44
2008 Räsänen E, Castro A, Gross EKU. Electron localization function for two-dimensional systems Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.115108  0.44
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  0.44
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  0.44
2008 Kreibich T, Van Leeuwen R, Gross EKU. Multicomponent density-functional theory for electrons and nuclei Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/PhysRevA.78.022501  0.44
2008 Räsänen E, Castro A, Werschnik J, Rubio A, Gross EKU. Coherent quantum switch driven by optimized laser pulses Physica E: Low-Dimensional Systems and Nanostructures. 40: 1593-1595. DOI: 10.1016/j.physe.2007.09.181  0.44
2008 Khosravi E, Kurth S, Stefanucci G, Gross EKU. The role of bound states in time-dependent quantum transport Applied Physics a: Materials Science and Processing. 93: 355-364. DOI: 10.1007/s00339-008-4864-9  0.44
2007 Räsänen E, Castro A, Werschnik J, Rubio A, Gross EK. Optimal control of quantum rings by terahertz laser pulses. Physical Review Letters. 98: 157404. PMID 17501384  0.44
2007 Sharma S, Dewhurst JK, Ambrosch-Draxl C, Kurth S, Helbig N, Pittalis S, Shallcross S, Nordström L, Gross EKU. First-principles approach to noncollinear magnetism: Towards spin dynamics Physical Review Letters. 98. DOI: 10.1103/PhysRevLett.98.196405  0.44
2007 Räsänen E, Castro A, Werschnik J, Rubio A, Gross EKU. Optimal control of quantum rings by terahertz laser pulses Physical Review Letters. 98. DOI: 10.1103/PhysRevLett.98.157404  0.44
2007 Pittalis S, Räsänen E, Helbig N, Gross EKU. Exchange-energy functionals for finite two-dimensional systems Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.235314  0.44
2007 Sharma S, Pittalis S, Kurth S, Shallcross S, Dewhurst JK, Gross EKU. Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.100401  0.44
2007 Lathiotakis NN, Helbig N, Gross EKU. Performance of one-body reduced density-matrix functionals for the homogeneous electron gas Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.195120  0.44
2007 Floris A, Sanna A, Massidda S, Gross EKU. Two-band superconductivity in Pb from ab initio calculations Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.054508  0.44
2007 Sanna A, Profeta G, Floris A, Marini A, Gross EKU, Massidda S. Anisotropic gap of superconducting CaC6: A first-principles density functional calculation Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.020511  0.44
2007 Butriy O, Ebadi H, De Boeij PL, Van Leeuwen R, Gross EKU. Multicomponent density-functional theory for time-dependent systems Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/PhysRevA.76.052514  0.44
2007 Werschnik J, Gross EKU. Quantum optimal control theory Journal of Physics B: Atomic, Molecular and Optical Physics. 40: R175-R211. DOI: 10.1088/0953-4075/40/18/R01  0.44
2007 Pittalis S, Kurth S, Sharma S, Gross EKU. Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem Journal of Chemical Physics. 127. DOI: 10.1063/1.2777140  0.44
2007 Wende H, Scherz A, Sorg C, Baberschke K, Gross EKU, Appel H, Burke K, Minár J, Ebert H, Ankudinov AL, Rehr JJ. XMCD analysis beyond standard procedures Aip Conference Proceedings. 882: 78-82. DOI: 10.1063/1.2644435  0.48
2007 Stefanucci G, Kurth S, Gross EKU, Rubio A. Chapter 10 Time-dependent transport phenomena Theoretical and Computational Chemistry. 17: 247-284. DOI: 10.1016/S1380-7323(07)80028-8  0.44
2007 Floris A, Sanna A, Lüders M, Profeta G, Lathiotakis NN, Marques MAL, Franchini C, Gross EKU, Continenza A, Massidda S. Superconducting properties of MgB2 from first principles Physica C: Superconductivity and Its Applications. 456: 45-53. DOI: 10.1016/j.physc.2007.01.026  0.44
2007 Schulz CP, Burnus T, Castro A, Gross EKU, Heidenreich A, Hertel IV, Jortner J, Laarmann T, Last I, Levis RJ, Marques MAL, Romanov DA, Saenz A. Molecules and clusters in strong laser fields Springer Series in Chemical Physics. 87: 485-617. DOI: 10.1007/978-3-540-68038-3-6  0.48
2006 Profeta G, Franchini C, Lathiotakis NN, Floris A, Sanna A, Marques MA, Lüders M, Massidda S, Gross EK, Continenza A. Superconductivity in lithium, potassium, and aluminum under extreme pressure: a first-principles study. Physical Review Letters. 96: 047003. PMID 16486874  0.44
2006 Pittalis S, Kurth S, Helbig N, Gross EKU. Optimized effective potential method in current-spin-density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/PhysRevA.74.062511  0.44
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  0.44
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  0.44
2003 Appel H, Gross EK, Burke K. Excitations in time-dependent density-functional theory. Physical Review Letters. 90: 043005. PMID 12570418  0.44
1988 Gross EK, Mearns D, Oliveira LN. Zeros of the frequency-dependent linear density response. Physical Review Letters. 61: 1518. PMID 10038820  0.68
1988 Oliveira LN, Gross EK, Kohn W. Density-functional theory for superconductors. Physical Review Letters. 60: 2430-2433. PMID 10038349  0.96
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  0.96
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  0.96
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  0.96
1985 Gross EK, Kohn W. Local density-functional theory of frequency-dependent linear response. Physical Review Letters. 55: 2850-2852. PMID 10032255  0.96
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