Spherically and system-averaged pair density functional theory

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Abstract

In a couple of recent papers Gori-Giorgi and Savin [Phys. Rev. A 71, 032513 (2005)] proposed a theory that provides simple radial equations to generate the spherically and system averaged pair density. In a recent density matrix functional theory [. Nagy, Phys. Rev. A 66, 022505 (2002)] it was shown that the problem of an arbitrary system can be reduced to a two-particle problem. Based on this theory, via a double adiabatic connection, it is rigorously derived that the square root of the ground-state spherically and system averaged pair density is the solution of a simple radial equation, that is, contrary to the theory of Gori-Giorgi and Savin only a single equation has to be considered.

Original languageEnglish
Article number184104
JournalThe Journal of Chemical Physics
Volume125
Issue number18
DOIs
Publication statusPublished - 2006

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Ground state
Density functional theory
density functional theory
ground state

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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Spherically and system-averaged pair density functional theory. / Nagy, A.

In: The Journal of Chemical Physics, Vol. 125, No. 18, 184104, 2006.

Research output: Contribution to journalArticle

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