Exact differential and integral constraints for the Pauli potential in the pair density functional theory

A. Nagy, C. Amovilli

Research output: Contribution to journalArticle

4 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. Exact differential and integral constraints for the Pauli potential of the effective potential of the two-particle equation are presented. The constraints are derived using the differential virial theorem and the Hiller-Sucher-Feinberg identity.

Original languageEnglish
Pages (from-to)353-356
Number of pages4
JournalChemical Physics Letters
Volume469
Issue number4-6
DOIs
Publication statusPublished - Feb 17 2009

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Ground state
Density functional theory
density functional theory
virial theorem
ground state

ASJC Scopus subject areas

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

Cite this

Exact differential and integral constraints for the Pauli potential in the pair density functional theory. / Nagy, A.; Amovilli, C.

In: Chemical Physics Letters, Vol. 469, No. 4-6, 17.02.2009, p. 353-356.

Research output: Contribution to journalArticle

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