Analysis of the zero-point energy problem in classical trajectory simulations

Analysis of the zero-point energy problem in classical trajectory simulations
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DOI:
10.1063/1.470853
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发表时间:
1996-01-08
影响因子:
4.4
通讯作者:
Sewell, TD
Sewell, TD
中科院分区:
化学2区
文献类型:
--
作者:
Guo, Y;Thompson, DL;Sewell, TD

文献摘要

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我们研究了在经典弹道模拟中处理零点能量流的方法,并确定了与其使用相关的一些问题。必须考虑的基本问题,无论是在评估零点能源问题的程度,并在制定有用的补救措施,进行了讨论。(C)1996年美国物理学会。
We examine methods for dealing with the flow of zero-point energy in classical trajectory simulations and identify some of the problems associated with their use. Fundamental issues which must be considered, both in assessing the extent of the zero-point energy problem and in the development of useful remedies, are discussed. (C) 1996 American Institute of Physics.