Analysis of the space correlation factor
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M. A. Besson; M. Suard
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Article
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1976
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John Wiley and Sons
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English
β 513 KB
## Abstract The space correlation factor is studied in LiH and Li~2~ molecules, using MCSCF waveβfunctions. The shape of the Fermi hole is related to the localization of molecular space orbitals, while the Coulomb hole study indicates the importance of symmetry properties of the molecular orbitals