Calculation of local spins for correlated wave functions

I. Mayer, E. Matito

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

The recent formula for decomposing the expectation value 〈Ŝ2〉 of the total spin operator for general (correlated) wave functions has been rewritten in terms of the cumulant and is realized numerically for the first time. The results confirm its conformity with the physical expectations.

Original languageEnglish
Pages (from-to)11308-11314
Number of pages7
JournalPhysical Chemistry Chemical Physics
Volume12
Issue number37
DOIs
Publication statusPublished - Jan 1 2010

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ASJC Scopus subject areas

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

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