Cruz, FFDSRuzzi, M. [UNESP]Schmidt, ACK2014-05-202014-05-201998-09-08Journal of Chemical Physics. Woodbury: Amer Inst Physics, v. 109, n. 10, p. 4028-4034, 1998.0021-9606http://hdl.handle.net/11449/23666This 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].4028-4034engArtigo10.1063/1.477002WOS:000075719900035Acesso restrito2-s2.0-22244455073WOS000075719900035.pdf