Exchange-correlation energies and correlation holes for some two- and four-electron atoms along a nonlinear adiabatic connection in density functional theory
The adiabatic connection procedure of density functional theory has been applied to two- and four-electron atomic systems by following a nonlinear path that leads from the noninteracting Kohn-Sham reference system to the physical one. We have calculated the exchange and correlation energies as the interaction strength is increased, as well as the densities of the corresponding correlation holes. (C) 2002 Wiley Periodicals, Inc.
%0 Journal Article
%1 publ9353170
%A Pollet, R.
%A Colonna, F.
%A Leininger, T.
%A Stoll, H.
%A Werner, H. J.
%A Savin, A.
%D 2003
%J Int. J. Quantum Chem.
%K Correlation energies,Nonlinear functional holes,Density werner theoretische stuttgart chemie theory,Exchange-correlation from:alexanderdenzel adiabatic connection theochem
%N 2 SPEC
%P 84–93
%R 10.1002/qua.10395
%T Exchange-correlation energies and correlation holes for some two- and four-electron atoms along a nonlinear adiabatic connection in density functional theory
%U http://dx.doi.org/10.1002/qua.10395
%V 91
%X The adiabatic connection procedure of density functional theory has been applied to two- and four-electron atomic systems by following a nonlinear path that leads from the noninteracting Kohn-Sham reference system to the physical one. We have calculated the exchange and correlation energies as the interaction strength is increased, as well as the densities of the corresponding correlation holes. (C) 2002 Wiley Periodicals, Inc.
@article{publ9353170,
abstract = {The adiabatic connection procedure of density functional theory has been applied to two- and four-electron atomic systems by following a nonlinear path that leads from the noninteracting Kohn-Sham reference system to the physical one. We have calculated the exchange and correlation energies as the interaction strength is increased, as well as the densities of the corresponding correlation holes. (C) 2002 Wiley Periodicals, Inc.},
added-at = {2019-03-01T15:49:41.000+0100},
author = {Pollet, R. and Colonna, F. and Leininger, T. and Stoll, H. and Werner, H. J. and Savin, A.},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2393b5a8009e2afd34eadd07d7bccee79/theochem},
doi = {10.1002/qua.10395},
interhash = {425d395f6a7bd6bc4fab29e58e601122},
intrahash = {393b5a8009e2afd34eadd07d7bccee79},
issn = {00207608},
journal = {Int. J. Quantum Chem.},
keywords = {Correlation energies,Nonlinear functional holes,Density werner theoretische stuttgart chemie theory,Exchange-correlation from:alexanderdenzel adiabatic connection theochem},
number = {2 SPEC},
pages = {84–93},
timestamp = {2019-03-01T14:49:41.000+0100},
title = {{Exchange-correlation energies and correlation holes for some two- and four-electron atoms along a nonlinear adiabatic connection in density functional theory}},
url = {http://dx.doi.org/10.1002/qua.10395},
volume = 91,
year = 2003
}