This review provides a perspective on the use of orbital-dependent
functionals, which is currently considered one of the most promising
avenues in modern density-functional theory. The focus here is on
four major themes: the motivation for orbital-dependent functionals
in terms of limitations of semilocal functionals; the optimized effective
potential as a rigorous approach to incorporating orbital-dependent
functionals within the Kohn-Sham framework; the rationale behind
and advantages and limitations of four popular classes of orbital-dependent
functionals; and the use of orbital-dependent functionals for predicting
excited-state properties. For each of these issues, both formal and
practical aspects are assessed.
Description
Time dependent density functional theory; Memory effects kernel; breakdown adiabatic approximation
%0 Journal Article
%1 Kummel2008
%A Kummel, Stephan
%A Kronik, Leeor
%D 2008
%I APS
%J Reviews of Modern Physics
%K calculations density excited functional orbital states; theory;
%N 1
%P 3
%R 10.1103/RevModPhys.80.3
%T Orbital-dependent density functionals: Theory and applications
%U http://link.aps.org/abstract/RMP/v80/p3
%V 80
%X This review provides a perspective on the use of orbital-dependent
functionals, which is currently considered one of the most promising
avenues in modern density-functional theory. The focus here is on
four major themes: the motivation for orbital-dependent functionals
in terms of limitations of semilocal functionals; the optimized effective
potential as a rigorous approach to incorporating orbital-dependent
functionals within the Kohn-Sham framework; the rationale behind
and advantages and limitations of four popular classes of orbital-dependent
functionals; and the use of orbital-dependent functionals for predicting
excited-state properties. For each of these issues, both formal and
practical aspects are assessed.
@article{Kummel2008,
abstract = {This review provides a perspective on the use of orbital-dependent
functionals, which is currently considered one of the most promising
avenues in modern density-functional theory. The focus here is on
four major themes: the motivation for orbital-dependent functionals
in terms of limitations of semilocal functionals; the optimized effective
potential as a rigorous approach to incorporating orbital-dependent
functionals within the Kohn-Sham framework; the rationale behind
and advantages and limitations of four popular classes of orbital-dependent
functionals; and the use of orbital-dependent functionals for predicting
excited-state properties. For each of these issues, both formal and
practical aspects are assessed.},
added-at = {2010-01-22T12:15:18.000+0100},
author = {Kummel, Stephan and Kronik, Leeor},
biburl = {https://www.bibsonomy.org/bibtex/2ea58b45ab6cdb2e66572c98dfa55a441/myrta},
description = {Time dependent density functional theory; Memory effects kernel; breakdown adiabatic approximation},
doi = {10.1103/RevModPhys.80.3},
eid = {3},
file = {:/home/cfc/myrta/VirtualLibrary/MemoryKernel/RevModPhys_80_000003.pdf:PDF},
interhash = {35ec1bbf23324f02255b1a6d68941b94},
intrahash = {ea58b45ab6cdb2e66572c98dfa55a441},
journal = {Reviews of Modern Physics},
keywords = {calculations density excited functional orbital states; theory;},
number = 1,
numpages = {58},
pages = 3,
publisher = {APS},
timestamp = {2010-01-22T12:15:19.000+0100},
title = {Orbital-dependent density functionals: Theory and applications},
url = {http://link.aps.org/abstract/RMP/v80/p3},
volume = 80,
year = 2008
}