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Time-dependent methods to study the dissociation dynamics of tri- and tetra-atomic clusters

AuthorsHernández, Marta I. ; García Vela, Alberto ; Campos-Martínez, José ; Roncero, Octavio ; Villarreal, Pablo ; Delgado Barrio, Gerardo
Issue Date2002
CitationComputer Physics Communications 145: 97- 125 (2002)
AbstractSeveral time-dependent quantum and hybrid methods are applied to study the dissociation dynamics of tri- and tetra-atomic van der Waals complexes, formed by a diatomic molecule and one or two rare gas atoms. Beginning with >exact> formulations of the wave packet propagation, using grid or channel descriptions, some approximations as reduction of dimensionality or >mean field> treatments are included. Also, hybrid procedures combining either simultaneously or sequentially Classical and Quantum Mechanics, are presented and discussed. © 2002 Elsevier Science B.V. All rights reserved.
Identifiersdoi: 10.1016/S0010-4655(02)00149-2
issn: 0010-4655
Appears in Collections:(CFMAC-IFF) Artículos
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