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Nikitas I. Gidopoulos
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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
1182002
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
1112003
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
982014
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
822003
Breakdown of the Born-Oppenheimer description explains neutron Compton-scattering anomaly
NI Gidopoulos
Physical Review B 71 (5), 054106, 2005
552005
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
462000
Kohn-Sham equations for multicomponent systems: The exchange and correlation energy functional
N Gidopoulos
Physical Review B 57 (4), 2146, 1998
451998
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
442013
Constraining density functional approximations to yield self-interaction free potentials
NI Gidopoulos, NN Lathiotakis
The Journal of chemical physics 136 (22), 224109, 2012
442012
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
441994
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
382014
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), 084105, 2010
382010
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
362007
Nonanalyticity of the optimized effective potential with finite basis sets
NI Gidopoulos, NN Lathiotakis
Physical Review A 85 (5), 052508, 2012
282012
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
262013
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
252002
Optimized effective potential using the Hylleraas variational method
TW Hollins, SJ Clark, K Refson, NI Gidopoulos
Physical Review B 85 (23), 235126, 2012
242012
Density functional theory for excited states
AK Theophilou, NI Gidopoulos
International Journal of Quantum Chemistry 56 (4), 333-336, 1995
221995
Progress at the interface of wave-function and density-functional theories
NI Gidopoulos
Physical Review A 83 (4), 040502, 2011
212011
Density-inversion method for the Kohn–Sham potential: Role of the screening density
TJ Callow, NN Lathiotakis, NI Gidopoulos
The Journal of chemical physics 152 (16), 164114, 2020
162020
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