The electronic adiabatic-to-diabatic transformation matrix and the Wigner rotation matrix

被引：7

作者：

Baer, M ^{[1
]}

机构：

[1] Soreq NRC, Dept Appl Phys, IL-81800 Yavne, Israel

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 347卷 / 1-3期

关键词：

D O I：

10.1016/S0009-2614(01)00972-1

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：

In this publication we consider electronically multi-fold degeneracy with the aim of revealing the connection between the adiabatic-to-diabatic transformation (ADT) matrices and Wigner's irreducible representation of the rotation group. To form the connection we constructed simplified models of two-, three- and four-states all (electronically) degenerate at a single point and employed the relevant non-adiabatic coupling matrices (NACMs). We found that once these matrices were properly quantized [Chem. Phys. 259, (2000) 123] the ADT matrices and Wigner's d(i)-rotation matrices are related via a similarity transformation. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：149 / 156

页数：8

共 33 条

[1] The conical intersection effects and adiabatic single-surface approximations on scattering processes: A time-dependent wave packet approach [J].