Existence of diabetic potentials and the quantization of the nonadiabatic matrix

被引:54
作者
Baer, M
机构
[1] Acad Sinica, Inst Atom & Mol Sci, Taipei 10764, Taiwan
[2] Soreq NRC, Dept Appl Math & Phys, IL-81800 Yavne, Israel
关键词
D O I
10.1021/jp0000533
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 work are considered nonadiabatic matrices which were not derived from first principles. For this type of nonadiabatic matrices we derived the conditions for such an N x N matrix to yield an N x N diabatic potential matrix which is continuous throughout configuration space. It is shown that these conditions are very close to being quantization type conditions which select from all possible matrices only a certain group. The final theoretical results are supported by examples (a) for the N = 2 case and (b) for the N = 3 case.
引用
收藏
页码:3181 / 3184
页数:4
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