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Application of Connection in Molecular Dynamics

Application of Connection in Molecular Dynamics
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摘要 The evolution of electronic states in molecule has two origins: dynamical one produced by Schr¨odinger 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.
作者 Xin Sun 孙鑫(Department of Physics and State Key Laboratory of Surface Physics, Fudan University, Shanghai 200433, China;Collaborative Innovation Center of Advanced Microstructure, Nanjing 210093, China)
出处 《Communications in Theoretical Physics》 SCIE CAS CSCD 2018年第3期308-310,共3页 理论物理通讯(英文版)
关键词 molecular dynamics electronic state fiber bundle connection 分子 连接 动力学 电子状态 数字计算 分析公式 数学结构 纤维
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