N-representability of two-electron densities and density matrices and the application to the few-body problem
(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:
https://lup.lub.lu.se/record/259023
- author
- Pistol, Mats-Erik LU
- organization
- publishing date
- 2004
- 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}}, }