Electron-electron cusp condition and asymptotic behavior for the Pauli potential in pair density functional theory

A. Nagy, C. Amovilli

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

In the ground state, the pair density n can be determined by solving a single auxiliary equation of a two-particle problem. Electron-electron cusp condition and asymptotic behavior for the Pauli potential of the effective potential of the two-particle equation are presented.

Original languageEnglish
Article number114115
JournalThe Journal of Chemical Physics
Volume128
Issue number11
DOIs
Publication statusPublished - 2008

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cusps
Density functional theory
density functional theory
Electrons
Ground state
electrons
ground state

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Electron-electron cusp condition and asymptotic behavior for the Pauli potential in pair density functional theory. / Nagy, A.; Amovilli, C.

In: The Journal of Chemical Physics, Vol. 128, No. 11, 114115, 2008.

Research output: Contribution to journalArticle

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