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Sci Rep. 2017 Aug 8;7(1):7590. doi: 10.1038/s41598-017-07454-8.

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

Author information

1
Graduate School of Advanced Sciences of Matter, Hiroshima University, Higashi-Hiroshima, 739-8527, Japan. khiguchi@hiroshima-u.ac.jp.
2
Department of Physics, Faculty of Science, Shinshu University, Matsumoto, 390-8621, Japan.

Abstract

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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