Strongly orthogonal geminals: Size-extensive and variational reference states

Péter R. Surján, Ágnes Szabados, Péter Jeszenszki, Tamás Zoboki

Research output: Contribution to journalReview article

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 1 2012

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Keywords

  • Geminals
  • Perfect pairing
  • Perturbative correction

ASJC Scopus subject areas

  • Chemistry(all)
  • Applied Mathematics

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