Topological effects due to conical intersections: A model study of two interacting conical intersections

Citation
M. Baer et al., Topological effects due to conical intersections: A model study of two interacting conical intersections, J CHEM PHYS, 111(21), 1999, pp. 9493-9497
Citations number
59
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
21
Year of publication
1999
Pages
9493 - 9497
Database
ISI
SICI code
0021-9606(199912)111:21<9493:TEDTCI>2.0.ZU;2-M
Abstract
A model is presented to study the (weak) interaction between two conical in tersections (e.g., a dimer of two loosely bound molecules each characterize d by a conical intersection). The model is an extension of a previous model for a single conical intersection formed by an electron housed by a vibrat ing molecule [Baer and Englman, Mol. Phys. 75, 293 (1992)]. The main result of this study is that the intermolecular coupling removes part of the dege neracy of the global system and in turn forms a new degeneracy, but will no t affect the multivaluedness of the nuclear wave functions. (C) 1999 Americ an Institute of Physics. [S0021-9606(99)01344-6].