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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
2016-04-01 15:33:47
date last changed
2022-03-31 11:05:37
@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}},
  doi          = {{10.1016/j.cplett.2004.11.014}},
  volume       = {{400}},
  year         = {{2004}},
}