Titlebook: Atoms and Molecules in the Ground State; Vol. 1: Atoms and Mo Odilon Chalvet,Raymond Daudel,Jean Paul Malrieu Book 1975 D. Reidel Publishin

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Localization and Delocalization in Quantum Chemistryhttp://image.papertrans.cn/l/image/587742.jpg

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978-94-010-1780-0D. Reidel Publishing Company, Dordrecht-Holland 1975

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The Transferable Properties of Localized Orbitalslements in this basis allows us to elaborate a simple parametric procedure adapted for hydrocarbons. Some applications of this procedure are performed..An original partitioning of the total energy through localized orbitals is also presented.

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The Direct S.C.F. Computation of the Localised Molecular Orbitals of the Formaldehyde MoleculeThe localised molecular orbitals (l.m.o.s) of the formaldehyde molecule are computed in a rigorous manner at the Hartree-Fock level of approximation using a minimum basis set of Slater atomic orbitals. The theoretical and chemical significance of the results is examined.

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