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Finite electric field valence shell calculations of polarizability gradients and raman depolarization ratios for diatomic molecules
Authors:Prof Dr N S Hush  M L Williams
Institution:1. Department of Inorganic Chemistry, The University of Bristol, UK
Abstract:Calculation of polarizability gradients have been made for a number of diatomic molecules using the Finite Field CNDO/II approximate SCF method. Comparison with experimental results suggests that the method will be generally useful for the prediction and interpretation of Raman intensities.
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