| Fundamentals of time-dependent density functional theory MAL Marques, NT Maitra, FMS Nogueira, EKU Gross, A Rubio Springer Berlin Heidelberg 837, 130, 2012 | 839 | 2012 |
| Double excitations within time-dependent density functional theory linear response NT Maitra, F Zhang, RJ Cave, K Burke The Journal of Chemical Physics 120 (13), 5932-5937, 2004 | 594 | 2004 |
| Exact factorization of the time-dependent electron-nuclear wave function A Abedi, NT Maitra, EKU Gross Physical review letters 105 (12), 123002, 2010 | 513 | 2010 |
| Perspective: Fundamental aspects of time-dependent density functional theory NT Maitra The Journal of Chemical Physics 144 (22), 2016 | 307 | 2016 |
| Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction A Abedi, NT Maitra, EKU Gross The Journal of chemical physics 137 (22), 2012 | 278 | 2012 |
| A dressed TDDFT treatment of the 21Ag states of butadiene and hexatriene RJ Cave, F Zhang, NT Maitra, K Burke Chemical Physics Letters 389 (1-3), 39-42, 2004 | 274 | 2004 |
| Memory in time-dependent density functional theory NT Maitra, K Burke, C Woodward Physical review letters 89 (2), 023002, 2002 | 249 | 2002 |
| Undoing static correlation: Long-range charge transfer in time-dependent density-functional theory NT Maitra The Journal of chemical physics 122 (23), 2005 | 217 | 2005 |
| Perspectives on double-excitations in TDDFT P Elliott, S Goldson, C Canahui, NT Maitra Chemical Physics 391 (1), 110-119, 2011 | 188 | 2011 |
| DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022 | 164 | 2022 |
| Charge transfer in time-dependent density functional theory NT Maitra Journal of Physics: Condensed Matter 29 (42), 423001, 2017 | 156 | 2017 |
| Universal dynamical steps in the exact time-dependent exchange-correlation potential P Elliott, JI Fuks, A Rubio, NT Maitra Physical review letters 109 (26), 266404, 2012 | 135 | 2012 |
| Revisiting molecular dissociation in density functional theory: a simple model DG Tempel, TJ Martinez, NT Maitra Journal of chemical theory and computation 5 (4), 770-780, 2009 | 123 | 2009 |
| The exact forces on classical nuclei in non-adiabatic charge transfer F Agostini, A Abedi, Y Suzuki, SK Min, NT Maitra, EKU Gross The Journal of chemical physics 142 (8), 2015 | 116 | 2015 |
| Demonstration of initial-state dependence in time-dependent density-functional theory NT Maitra, K Burke Physical Review A 63 (4), 042501, 2001 | 107 | 2001 |
| Barrier tunneling and reflection in the time and energy domains: The battle of the exponentials NT Maitra, EJ Heller Physical review letters 78 (16), 3035, 1997 | 105 | 1997 |
| Dynamics of charge-transfer processes with time-dependent density functional theory JI Fuks, P Elliott, A Rubio, NT Maitra The journal of physical chemistry letters 4 (5), 735-739, 2013 | 102 | 2013 |
| Time-resolved spectroscopy in time-dependent density functional theory: An exact condition JI Fuks, K Luo, ED Sandoval, NT Maitra Physical review letters 114 (18), 183002, 2015 | 94 | 2015 |
| Current-density functional theory of the response of solids NT Maitra, I Souza, K Burke Physical Review B 68 (4), 045109, 2003 | 83 | 2003 |
| Quantizing constrained systems L Kaplan, NT Maitra, EJ Heller Physical Review A 56 (4), 2592, 1997 | 79 | 1997 |