A SIMPLE MATRIX MODEL OF INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION AND ITS IMPLICATIONS

被引：76

作者：

BIGWOOD, R ^{[1
]}

GRUEBELE, M ^{[1
]}

机构：

[1] UNIV ILLINOIS, BECKMAN INST ADV SCI & TECHNOL, URBANA, IL 61801 USA

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 235卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(95)00170-9

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 multiple-range local matrix model for IVR is applied to systems with up to 100000 active states. Applications include calculation of IVR transients and high-resolution spectra of molecular models for vibrationally excited 1-propyne and trihalomethanes. The model bridges recent statistical theories and detailed quantum simulations on specific systems, and several different IVR regimes can be qualitatively distinguished. In many cases, characteristic deviations from exponential decay behavior and/or the Golden Rule are observed.

引用

页码：604 / 613

页数：10

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