Oleg V. Gritsenko

发表

Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range

Evert Jan Baerends, Xiao Wei Sheng, Lukasz Mentel, 2011, J. Comput. Chem..

Improved description of chemical barriers with generalized gradient approximations (GGAs) and meta-GGAs

Evert Jan Baerends, Myrta Grüning, Oleg V. Gritsenko, 2004 .

One - determinantal pure state versus ensemble Kohn-Sham solutions in the case of strong electron correlation: CH2 and C2

E. J. Baerends, Oleg V. Gritsenko, E. Baerends, 1998 .

Approximation of the exchange-correlation Kohn-Sham potential with a statistical average of different orbital model potentials.

E. J. Baerends, Oleg V. Gritsenko, E. Baerends, 1999 .

Analysis of electron interaction and atomic shell structure in terms of local potentials

Evert Jan Baerends, Robert van Leeuwen, Oleg V. Gritsenko, 1994 .

Physical interpretation and evaluation of the Kohn-Sham and Dyson components of the epsilon-I relations between the Kohn-Sham orbital energies and the ionization potentials

Evert Jan Baerends, Oleg V. Gritsenko, E. Baerends, 2003 .

Precision of total energy and orbital energies with the expansion method for the optimized effective Kohn-Sham potential

Evert Jan Baerends, Oleg V. Gritsenko, Daniel R. Rohr, 2006 .

Electric field dependence of the exchange-correlation potential in molecular chains

Benoît Champagne, Bernard Kirtman, Evert Jan Baerends, 1999 .

Density-functional-theory response-property calculations with accurate exchange-correlation potentials

Evert Jan Baerends, J. G. Snijders, S.J.A. van Gisbergen, 1998 .

Shape corrections to exchange-correlation potentials by gradient-regulated seamless connection of model potentials for inner and outer region

Evert Jan Baerends, Myrta Grüning, S.J.A. van Gisbergen, 2001 .

Kohn-Sham potentials and exchange and correlation energy densities from one- and two-electron density matrices for Li2, N2, F2.

E. J. Baerends, Oleg V. Gritsenko, E. Baerends, 1998 .

Benchmark calculations of chemical reactions in density functional theory: comparison of the accurate Kohn-Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions.

E. J. Baerends, Oleg V. Gritsenko, E. Baerends, 1999 .

Quantum collapse as reduction from a continuum of conditional amplitudes in an entangled state to a single actualized amplitude in the collapsed state

Oleg V. Gritsenko, O. Gritsenko, 2020 .

Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials

Evert Jan Baerends, S.J.A. van Gisbergen, Oleg V. Gritsenko, 2000 .

Exchange potential from the common energy denominator approximation for the Kohn–Sham Green’s function: Application to (hyper)polarizabilities of molecular chains

Evert Jan Baerends, Myrta Grüning, Oleg V. Gritsenko, 2002 .

Analysis and modelling of atomic and molecular kohn-sham potentials

E. J. Baerends, Oleg V. Gritsenko, R. Leeuwen, 1996 .

Excitation energies of metal complexes with time-dependent density functional theory

Evert Jan Baerends, Oleg V. Gritsenko, E. Baerends, 2004 .

Kohn-Sham potentials corresponding to Slater and Gaussian basis set densities

E. J. Baerends, Oleg V. Gritsenko, P. R. T. Schipper, 1997 .