N-representability of the Jastrow wave function pair density of the lowest-order

Conditions for the N-representability of the pair density (PD) are needed for the development of the PD functional theory. We derive sufficient conditions for the N-representability of the PD that is calculated from the Jastrow wave function within the lowest order. These conditions are used as the...

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Autores principales: Higuchi, Katsuhiko, Higuchi, Masahiko
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5548956/
https://www.ncbi.nlm.nih.gov/pubmed/28790332
http://dx.doi.org/10.1038/s41598-017-07454-8
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author Higuchi, Katsuhiko
Higuchi, Masahiko
author_facet Higuchi, Katsuhiko
Higuchi, Masahiko
author_sort Higuchi, Katsuhiko
collection PubMed
description Conditions for the N-representability of the pair density (PD) are needed for the development of the PD functional theory. We derive sufficient conditions for the N-representability of the PD that is calculated from the Jastrow wave function within the lowest order. These conditions are used as the constraints on the correlation function of the Jastrow wave function. A concrete procedure to search the suitable correlation function is also presented.
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spelling pubmed-55489562017-08-11 N-representability of the Jastrow wave function pair density of the lowest-order Higuchi, Katsuhiko Higuchi, Masahiko Sci Rep Article Conditions for the N-representability of the pair density (PD) are needed for the development of the PD functional theory. We derive sufficient conditions for the N-representability of the PD that is calculated from the Jastrow wave function within the lowest order. These conditions are used as the constraints on the correlation function of the Jastrow wave function. A concrete procedure to search the suitable correlation function is also presented. Nature Publishing Group UK 2017-08-08 /pmc/articles/PMC5548956/ /pubmed/28790332 http://dx.doi.org/10.1038/s41598-017-07454-8 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Higuchi, Katsuhiko
Higuchi, Masahiko
N-representability of the Jastrow wave function pair density of the lowest-order
title N-representability of the Jastrow wave function pair density of the lowest-order
title_full N-representability of the Jastrow wave function pair density of the lowest-order
title_fullStr N-representability of the Jastrow wave function pair density of the lowest-order
title_full_unstemmed N-representability of the Jastrow wave function pair density of the lowest-order
title_short N-representability of the Jastrow wave function pair density of the lowest-order
title_sort n-representability of the jastrow wave function pair density of the lowest-order
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5548956/
https://www.ncbi.nlm.nih.gov/pubmed/28790332
http://dx.doi.org/10.1038/s41598-017-07454-8
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