New Measure of Electron Correlation
نویسندگان
چکیده
منابع مشابه
New measure of electron correlation.
We propose to quantify the correlation inherent in a many-electron (or many-fermion) wave function psi by comparing it to the unique uncorrelated state that has the same 1-particle density operator as does /|psi><psi/.
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We propose to quantify the “correlation” inherent in a many-electron (or manyfermion) wavefunction ψ by comparing it to the unique uncorrelated state that has the same 1-particle density operator as does |ψ〉〈ψ|. Electron correlation is of fundamental importance in quantum chemistry and magnetism, but as yet there is no definitive way to quantify it: given the wavefunction ψ(x1, x2, . . . , xN) ...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2005
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.95.123003