Calculation of local spins for correlated wave functions.
The recent formula for decomposing the expectation value <S(2)> 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.
Mayer
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Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary. mayer@chemres.hu
Matito
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