Strongly orthogonal geminals: Size-extensive and variational reference states

P. Surján, A. Szabados, Péter Jeszenszki, Tamás Zoboki

Research output: Contribution to journalArticle

40 Citations (Scopus)

Abstract

Properties and some applications of strongly orthogonal geminals (APSG) are reviewed emphasizing the motivations for their use and their shortcomings. An overview presents some techniques capable of improving the APSG function.

Original languageEnglish
Pages (from-to)534-551
Number of pages18
JournalJournal of Mathematical Chemistry
Volume50
Issue number3
DOIs
Publication statusPublished - Mar 2012

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Orthogonal functions
Orthogonal Functions

Keywords

  • Geminals
  • Perfect pairing
  • Perturbative correction

ASJC Scopus subject areas

  • Chemistry(all)
  • Applied Mathematics

Cite this

Strongly orthogonal geminals : Size-extensive and variational reference states. / Surján, P.; Szabados, A.; Jeszenszki, Péter; Zoboki, Tamás.

In: Journal of Mathematical Chemistry, Vol. 50, No. 3, 03.2012, p. 534-551.

Research output: Contribution to journalArticle

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