| Density functional theory: basics, new trends and applications J Kohanoff, NI Gidopoulos Handbook of molecular physics and quantum chemistry 2 (Part 5), 532-568, 2003 | 128 | 2003 |
| Spurious interactions, and their correction, in the ensemble-Kohn-Sham scheme for excited states NI Gidopoulos, PG Papaconstantinou, EKU Gross Physical review letters 88 (3), 033003, 2002 | 124 | 2002 |
| 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 | 115 | 2022 |
| Electronic non-adiabatic states: towards a density functional theory beyond the Born–Oppenheimer approximation NI Gidopoulos, EKU Gross Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014 | 113 | 2014 |
| The fundamentals of electron density, density matrix and density functional theory in atoms, molecules and the solid state NI Gidopoulos, S Wilson Springer Science & Business Media, 2003 | 74 | 2003 |
| Breakdown of the Born-Oppenheimer description explains neutron Compton-scattering anomaly NI Gidopoulos Physical Review B 71 (5), 054106, 2005 | 59 | 2005 |
| Kohn-Sham equations for multicomponent systems: The exchange and correlation energy functional N Gidopoulos Physical Review B 57 (4), 2146, 1998 | 54 | 1998 |
| Born effective charge reversal and metallic threshold state at a band insulator-Mott insulator transition N Gidopoulos, S Sorella, E Tosatti The European Physical Journal B-Condensed Matter and Complex Systems 14 (2 …, 2000 | 51 | 2000 |
| Constraining density functional approximations to yield self-interaction free potentials NI Gidopoulos, NN Lathiotakis The Journal of chemical physics 136 (22), 2012 | 49 | 2012 |
| Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle E Pastorczak, NI Gidopoulos, K Pernal Physical Review A 87 (6), 062501, 2013 | 45 | 2013 |
| Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations NN Lathiotakis, N Helbig, A Rubio, NI Gidopoulos Physical Review A 90 (3), 032511, 2014 | 43 | 2014 |
| Potential in spin-density-functional theory of noncollinear magnetism determined by the many-electron ground state NI Gidopoulos Physical Review B 75 (13), 134408, 2007 | 41 | 2007 |
| Hartree-Fock equations determining the optimum set of spin orbitals for the expansion of excited states N Gidopoulos, A Theophilou Philosophical Magazine B 69 (5), 1067-1074, 1994 | 41 | 1994 |
| Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory NN Lathiotakis, NI Gidopoulos, N Helbig The Journal of chemical physics 132 (8), 2010 | 38 | 2010 |
| Handbook of molecular physics and quantum chemistry J Kohanoff, NI Gidopoulos Wiley 2, 532, 2003 | 37 | 2003 |
| Parametric representation of open quantum systems and cross-over from quantum to classical environment D Calvani, A Cuccoli, NI Gidopoulos, P Verrucchi Proceedings of the National Academy of Sciences 110 (17), 6748-6753, 2013 | 31 | 2013 |
| Optimized effective potential using the Hylleraas variational method TW Hollins, SJ Clark, K Refson, NI Gidopoulos Physical Review B 85 (23), 235126, 2012 | 30 | 2012 |
| Nonanalyticity of the optimized effective potential with finite basis sets NI Gidopoulos, NN Lathiotakis Physical Review A 85 (5), 052508, 2012 | 30 | 2012 |
| Density functional theory for excited states AK Theophilou, NI Gidopoulos International Journal of Quantum Chemistry 56 (4), 333-336, 1995 | 30 | 1995 |
| Ensemble-Hartree–Fock scheme for excited states. The optimized effective potential method NI Gidopoulos, PG Papaconstantinou, EKU Gross Physica B: Condensed Matter 318 (4), 328-332, 2002 | 28 | 2002 |
Nektarios N. LathiotakisDirector of Research, National Hellenic Research Foundation, Theoretical and Physical ChemistryVerified email at eie.gr
