Time-dependent electron localization functions for coupled nuclear-electronic motion
Time-dependent electron localization functions for coupled nuclear-electronic motion
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DOI：
10.1063/1.1806812
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发表时间：
2004-11-15
影响因子：
4.4
通讯作者：
Engel, V
中科院分区：
文献类型：
--
作者：
Erdmann, M;Gross, EKU;Engel, V
我们研究由两个电子和一个原子核组成的模型系统中的量子动力学，这些电子和原子核在一维的两个固定离子之间移动。数值确定的波函数允许计算平行自旋情况下的时间相关电子定位函数以及反平行自旋的时间相关反平行自旋电子定位函数。借助这些函数，可以说明如何通过原子核的振动波包运动来修改电子定位。 (C) 2004 年美国物理研究所。
We study the quantum dynamics in a model system consisting of two electrons and a nucleus which move between two fixed ions in one dimension. The numerically determined wave functions allow for the calculation of time-dependent electron localization functions in the case of parallel spin and of the time-dependent antiparallel spin electron localization functions for antiparallel spin. With the help of these functions, it becomes possible to illustrate how electronic localization is modified through the vibrational wave-packet motion of the nucleus. (C) 2004 American Institute of Physics.