Calculation of local spins for correlated wave functions

文献情報

出版日 2010-08-02

DOI 10.1039/C004427J

インパクトファクター 3.676

著者

I. Mayer, E. Matito

原文を見る

要旨

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.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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