Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules

被引:113
作者
Truhlar, DG [1 ]
Mead, CA
机构
[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
[2] Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA
来源
PHYSICAL REVIEW A | 2003年 / 68卷 / 03期
关键词
D O I
10.1103/PhysRevA.68.032501
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We prove that conical intersections are much more likely than local minima of the electronic energy gap. Therefore, if one encounters a very small electronic energy gap along a path through configuration space, it is much more likely to be associated with the neighborhood of a conical intersection than with an avoided intersection.
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页数:2
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