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

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We have recently proposed a density functional scheme for calculating the ground-state pair density (PD) within the Jastrow wave function PDs of the lowest-order (LO-Jastrow PDs) [M. Higuchi and K. Higuchi, Phys. Rev. A \textbf{75}, 042510 (2007)]. However, there remained an arguable problem on the $N$-representability of the LO-Jastrow PD. In this paper, the sufficient conditions for the $N$-representability of the LO-Jastrow PD are derived. 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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Strongly Correlated Electrons, Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/145319

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0801.0615
 http://arxiv.org/abs/0801.0615

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arXiv