Publicação: The generator coordinate method for a reaction coordinate coupled to a harmonic oscillator bath
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1998-09-08
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American Institute of Physics (AIP)
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This paper investigates the usefulness of the generator coordinate method (GCM) for treating the dynamics of a reaction coordinate coupled to a bath of harmonic degrees of freedom. Models for the unimolecular dissociation and isomerization process (proton transfer) are analyzed. The GCM results, presented in analytical form, provide a very good description and are compared to other methods Like the basis set method and multiconfiguration time dependent self-consistent field. (C) 1998 American Institute of Physics. [S0021-9606(98)50934-8].
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Journal of Chemical Physics. Woodbury: Amer Inst Physics, v. 109, n. 10, p. 4028-4034, 1998.
