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Variational second-order Moller-Plesset theory based on the Luttinger-Ward functional

Dahlen, Nils-Erik LU and von Barth, Ulf LU (2004) In Journal of Chemical Physics 120(15). p.6826-6831
Abstract
In recent years there have been some rather successful applications of a new variational technique for calculating the total energies of electronic systems. The new method is based on many-body perturbation theory and uses the one-electron Green function as the basic "variable" rather than the wave function of traditional variational calculations. It is the purpose of the present work to promote the new methods within the realm of traditional theoretical chemistry by demonstrating their utility for calculating the correlation energies of a number of atoms at a level corresponding to second-order Moller-Plesset perturbation theory. The generalization to any desired order of perturbation theory is not hard to accomplish. (C) 2004 American... (More)
In recent years there have been some rather successful applications of a new variational technique for calculating the total energies of electronic systems. The new method is based on many-body perturbation theory and uses the one-electron Green function as the basic "variable" rather than the wave function of traditional variational calculations. It is the purpose of the present work to promote the new methods within the realm of traditional theoretical chemistry by demonstrating their utility for calculating the correlation energies of a number of atoms at a level corresponding to second-order Moller-Plesset perturbation theory. The generalization to any desired order of perturbation theory is not hard to accomplish. (C) 2004 American Institute of Physics. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
120
issue
15
pages
6826 - 6831
publisher
American Institute of Physics
external identifiers
  • pmid:15267581
  • wos:000220585300004
  • scopus:2342532498
ISSN
0021-9606
DOI
10.1063/1.1650307
language
English
LU publication?
yes
id
9abbdd1d-6673-4e7d-b3cd-c2e2a4b0fab1 (old id 282938)
date added to LUP
2007-10-22 16:23:05
date last changed
2017-10-22 03:48:45
@article{9abbdd1d-6673-4e7d-b3cd-c2e2a4b0fab1,
  abstract     = {In recent years there have been some rather successful applications of a new variational technique for calculating the total energies of electronic systems. The new method is based on many-body perturbation theory and uses the one-electron Green function as the basic "variable" rather than the wave function of traditional variational calculations. It is the purpose of the present work to promote the new methods within the realm of traditional theoretical chemistry by demonstrating their utility for calculating the correlation energies of a number of atoms at a level corresponding to second-order Moller-Plesset perturbation theory. The generalization to any desired order of perturbation theory is not hard to accomplish. (C) 2004 American Institute of Physics.},
  author       = {Dahlen, Nils-Erik and von Barth, Ulf},
  issn         = {0021-9606},
  language     = {eng},
  number       = {15},
  pages        = {6826--6831},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Variational second-order Moller-Plesset theory based on the Luttinger-Ward functional},
  url          = {http://dx.doi.org/10.1063/1.1650307},
  volume       = {120},
  year         = {2004},
}