Some new classical and semiclassical models for describing tunneling processes with real-valued classical trajectories

被引：12

作者：

Xing, JH

Coronado, EA

Miller, WH ^{[1
]}

机构：

[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA

[3] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2001年 / 105卷 / 28期

关键词：

D O I：

10.1021/jp0046086

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：

A model for describing barrier tunneling (or other classically forbidden processes) using purely real-valued classical trajectories is presented. The basic idea is to introduce an auxiliary degree of freedom that allows for fluctuations in the potential-energy surface for the original classical degrees of freedom. The model can be applied purely classically or better semiclassically (e.g., via the initial value representation). Numerical results for ID barrier tunneling are presented to illustrate the model.

引用

页码：6574 / 6578

页数：5

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