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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Detalles Bibliográficos
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
Descripción
Sumario: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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