Classical trajectory methods for polyatomic molecules

被引：57

作者：

Sewell, TD ^{[1
]}

Thompson, DL ^{[1
]}

机构：

[1] OKLAHOMA STATE UNIV, DEPT CHEM, STILLWATER, OK 74078 USA

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 1997年 / 11卷 / 09期

关键词：

D O I：

10.1142/S0217979297000551

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Monte Carlo classical trajectory methods for simulating intramolecular dynamics, including chemical reactions, in large polyatomic molecules are described. Methods for performing calculations corresponding to various kinds of experiments are discussed. Some approaches for formulating potential-energy surfaces are described.

引用

页码：1067 / 1112

页数：46

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