Extended approximated Born-Oppenheimer equation - I. Theory.

被引：108

作者：

Baer, M

Lin, SH

Alijah, A

Adhikari, S

Billing, GD

机构：

[1] Acad Sinica, Inst Atom & Mol Sci, Taipei 10764, Taiwan

[2] Soreq NRC, Dept Appl Math & Phys, IL-81800 Yavne, Israel

[3] Univ Bielefeld, Fak Chem, D-33501 Bielefeld, Germany

[4] Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2100 Copenhagen O, Denmark

来源：

PHYSICAL REVIEW A | 2000年 / 62卷 / 03期

关键词：

D O I：

10.1103/PhysRevA.62.032506

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

In this study we consider Born-Oppenheimer coupled equations with the aim of deriving a single approximated Born-Oppenheimer-type equation which contains the effect of the nonadiabatic coupling terms. The derivation is done for a situation where N (greater than or equal to 2) adiabatic surfaces, including the ground-state surface, have a degeneracy along a single line (e.g., conical intersection). The new equation can be considered as an extended version of the Born-Oppenheimer approximation. Although derived for a nongeneral case, the extension to a general case is also discussed. As special cases we treat, in the present paper, the two-state system and, in the following paper, the three-state system.

引用

页数：8

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