The generator coordinate method for a reaction coordinate coupled to a harmonic oscillator bath

dc.contributorUniversidade Federal de Santa Catarina (UFSC)
dc.contributorUniversidade Estadual Paulista (Unesp)
dc.contributorUniversidade de São Paulo (USP)
dc.date.accessioned2014-05-20T14:07:25Z
dc.date.accessioned2022-10-05T15:01:49Z
dc.date.available2014-05-20T14:07:25Z
dc.date.available2022-10-05T15:01:49Z
dc.date.created2014-05-20T14:07:25Z
dc.date.issued1998-09-08
dc.identifierJournal of Chemical Physics. Woodbury: Amer Inst Physics, v. 109, n. 10, p. 4028-4034, 1998.
dc.identifier0021-9606
dc.identifierhttp://hdl.handle.net/11449/23666
dc.identifier10.1063/1.477002
dc.identifierWOS:000075719900035
dc.identifier2-s2.0-22244455073
dc.identifierWOS000075719900035.pdf
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/3896967
dc.description.abstractThis 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].
dc.languageeng
dc.publisherAmerican Institute of Physics (AIP)
dc.relationJournal of Chemical Physics
dc.relation2.843
dc.relation1,252
dc.rightsAcesso restrito
dc.sourceWeb of Science
dc.titleThe generator coordinate method for a reaction coordinate coupled to a harmonic oscillator bath
dc.typeArtigo


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