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

被引:9
作者
Baer, M [2 ]
Varandas, AJC
Englman, R
机构
[1] Soreq NRC, Dept Phys & Appl Phys, IL-81800 Yavne, Israel
[2] Univ Coimbra, Dept Quim, P-3049 Coimbra, Portugal
关键词
D O I
10.1063/1.480280
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A model is presented to study the (weak) interaction between two conical intersections (e.g., a dimer of two loosely bound molecules each characterized 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 vibrating molecule [Baer and Englman, Mol. Phys. 75, 293 (1992)]. The main result of this study is that the intermolecular coupling removes part of the degeneracy of the global system and in turn forms a new degeneracy, but will not affect the multivaluedness of the nuclear wave functions. (C) 1999 American Institute of Physics. [S0021-9606(99)01344-6].
引用
收藏
页码:9493 / 9497
页数:5
相关论文
共 59 条
[1]   BORN-OPPENHEIMER REVISITED [J].
AHARONOV, Y ;
BENREUVEN, E ;
POPESCU, S ;
ROHRLICH, D .
NUCLEAR PHYSICS B, 1991, 350 (03) :818-830
[2]   ADIABATIC AND DIABATIC REPRESENTATIONS FOR ATOM-MOLECULE COLLISIONS - TREATMENT OF COLLINEAR ARRANGEMENT [J].
BAER, M .
CHEMICAL PHYSICS LETTERS, 1975, 35 (01) :112-118
[3]   ELECTRONIC NON-ADIABATIC TRANSITIONS - DERIVATION OF THE GENERAL ADIABATIC-DIABATIC TRANSFORMATION MATRIX [J].
BAER, M .
MOLECULAR PHYSICS, 1980, 40 (04) :1011-1013
[4]   Nonadiabatic effects in molecular adiabatic systems:: Application to linear plus quadratic E⊗e system [J].
Baer, M .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (24) :10662-10666
[5]   On the Longuet-Higgins phase and its relation to the electronic adiabatic-diabatic transformation angle [J].
Baer, M .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (07) :2694-2695
[6]   Time-dependent and time-independent approaches to study effects of degenerate electronic states [J].
Baer, M ;
Yahalom, A ;
Englman, R .
JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (16) :6550-6556
[7]   A STUDY OF THE DIABATIC ELECTRONIC REPRESENTATION WITHIN THE BORN-OPPENHEIMER APPROXIMATION [J].
BAER, M ;
ENGLMAN, R .
MOLECULAR PHYSICS, 1992, 75 (02) :293-303
[8]  
BAER M, 1985, THEORY CHEM REACTION, V2, P243
[9]  
BAER M, IN PRESS MOL PHYS
[10]   A study of conical intersection effects on scattering processes: The validity of adiabatic single-surface approximations within a quasi-Jahn-Teller model [J].
Baer, R ;
Charutz, DM ;
Kosloff, R ;
Baer, M .
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (20) :9141-9152