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- W1974474584 abstract "The 1- and 2-matrices of the 10-electron polyhydrides, methide ion, ammonia, and oxonium ion, computed from one-center expansion wavefunctions with configuration interaction, are examined. The results are discussed in relation to the utility and limitations of one-center expansion wavefunctions. An explanation of Rutledge and Saturno's result, that methide ion and ammonia are planar, is proposed." @default.
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- W1974474584 title "Molecular Density Matrices from One-Center Wavefunctions" @default.
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- W1974474584 doi "https://doi.org/10.1063/1.1674098" @default.
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