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

Á Nagy, C. Amovilli

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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
JournalJournal of Chemical Physics
Volume128
Issue number11
DOIs
Publication statusPublished - Mar 28 2008

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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