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

被引：151

作者：

Guo, Y ^{[1
]}

Thompson, DL ^{[1
]}

Sewell, TD ^{[1
]}

机构：

[1] LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545

来源：

JOURNAL OF CHEMICAL PHYSICS | 1996年 / 104卷 / 02期

关键词：

D O I：

10.1063/1.470853

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

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页码：576 / 582

页数：7

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