Simultaneous molecular and spin dynamics: Quasiclassical approximation and quantum effects

被引:7
作者
Antropov, VP [1 ]
Harmon, BN [1 ]
机构
[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS & ASTRON,AMES,IA 50011
关键词
D O I
10.1063/1.362321
中图分类号
O59 [应用物理学];
学科分类号
摘要
We sketch the derivation of a set of equations of motion for the simultaneous treatment of both molecular and spin dynamics. The equations can be extended through the concept of imaginary time density functional theory, to describe the penetration of classically forbidden regions. (C) 1996 American Institute of Physics.
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页码:5409 / 5411
页数:3
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