Advanced

N-representability of two-electron densities and density matrices and the application to the few-body problem

Pistol, Mats-Erik LU (2004) In Chemical Physics Letters 400(4-6). p.548-552
Abstract
We have found a (dense) basis for the N-representable, two-electron densities, in which all N-representable two-electron densities can be expanded, using positive coefficients. The inverse problem of finding a representative wavefunction, giving a prescribed two-electron density, has also been solved. The two-electron densities are found to lie in a convex set in a vector space. An algorithm to compute the ground-state energy of a few-particle system is proposed, based on the obtained results. (C) 2004 Elsevier B.V. All rights reserved.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Chemical Physics Letters
volume
400
issue
4-6
pages
548 - 552
publisher
Elsevier
external identifiers
  • wos:000225906300049
  • scopus:10344252257
ISSN
0009-2614
DOI
10.1016/j.cplett.2004.11.014
language
English
LU publication?
yes
id
315051b6-e4fb-4eb3-afd9-986acc2d726f (old id 259023)
date added to LUP
2007-10-30 07:25:31
date last changed
2017-07-02 04:16:14
@article{315051b6-e4fb-4eb3-afd9-986acc2d726f,
  abstract     = {We have found a (dense) basis for the N-representable, two-electron densities, in which all N-representable two-electron densities can be expanded, using positive coefficients. The inverse problem of finding a representative wavefunction, giving a prescribed two-electron density, has also been solved. The two-electron densities are found to lie in a convex set in a vector space. An algorithm to compute the ground-state energy of a few-particle system is proposed, based on the obtained results. (C) 2004 Elsevier B.V. All rights reserved.},
  author       = {Pistol, Mats-Erik},
  issn         = {0009-2614},
  language     = {eng},
  number       = {4-6},
  pages        = {548--552},
  publisher    = {Elsevier},
  series       = {Chemical Physics Letters},
  title        = {N-representability of two-electron densities and density matrices and the application to the few-body problem},
  url          = {http://dx.doi.org/10.1016/j.cplett.2004.11.014},
  volume       = {400},
  year         = {2004},
}