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The McLachlan variational principle for the time-dependent Schrödinger equation is utilized in conjunction with extant localized Guassian wave packet technology to deduce equations of motion for general multidimensional Gaussians. These equations of motion are characterized by the same simplicity as the local quadratic expansion results of Heller [J. Chem. Phys. 62, 1544 (1975)]. However, the resultant variational wave packet evolution is shown to be an improvement over its local quadratic analog as a tool for computing certain photodissociation spectra. Numerical examples drawn from the Beswick–Jortner model of ICN photodissociation [Chem. Phys. 24, 1 (1977)] are presented.
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Coalson et al. (1990) studied this question.
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