Application of Connection in Molecular Dynamics

被引：4
|
作者：
Sun, Xin [1 ,2 ]
机构：
[1] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China
[2] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China
来源：
COMMUNICATIONS IN THEORETICAL PHYSICS | 2018年 / 69卷 / 03期
关键词：
molecular dynamics; electronic state; fiber bundle; connection;
D O I：
10.1088/0253-6102/69/3/308
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The evolution of electronic states in molecule has two origins: dynamical one produced by Schrodinger equation and kinematical one caused by base transformation due to nuclear motion. In current theories, the former gets analytic expression; the latter depends on heavy numerical calculation, which contains uncertainty. By using connection of fiber bundles, this paper establishes an analytic formula for the latter, and the numerical work is simplified. It shows the mathematical structure of molecule is fiber bundle.
引用
收藏
页码：308 / 310
页数：3
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