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• W2032587958 abstract "The relationship between the theory of separated pairs and localized molecular orbitals is examined by approximating the energy of a separated pair wave function as the sum of two terms. The first term determines a linear vector space similar to that spanned by the canonical SCF orbitals. The second term determines a basis for that space which corresponds to a localized representation of the wave function." @default.
• W2032587958 created "2016-06-24" @default.
• W2032587958 creator A5021505935 @default.
• W2032587958 date "1983-05-01" @default.
• W2032587958 modified "2023-10-17" @default.
• W2032587958 title "Localized orbitals and the theory of separated pairs" @default.
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• W2032587958 doi "https://doi.org/10.1063/1.445453" @default.
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