Reduced density matrices for valence-bond wave functions

International Journal of Quantum Chemistry(2009)

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摘要
First and second-order reduced density matrices, and their eigenvalues and eigenvectors, have been obtained for resonating valence-bond wave functions for N-membered rings of atoms with one orbital site and one electron per atom (one-dimensional lattice system). Such a wave function offers a good description of the electron correlation which dominates behavior at very low electron density (large atomic spacing). Results are compared briefly with the amo model.
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关键词
electron density,electron correlation,second order,valence bond,eigenvalues and eigenvectors
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