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- W2019965010 abstract "An approximate method is developed for evaluating quadratic stretching force constants for diatomic molecules. The method employs a component of the LCAO—MO—SCF electronic charge density which is centered on the heavier nucleus in a Poisson equation for the Born-Oppenheimer vibrational potential energy of the lighter nucleus. Several first row molecules are considered." @default.
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- W2019965010 title "On evaluating force constants from LCAO—MO—SCF electronic charge densities for diatomic molecules" @default.
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- W2019965010 doi "https://doi.org/10.1063/1.1678934" @default.
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