On the finite temperature red shift in Ar12-HF:: can isomerizations in clusters be observed by spectroscopy?

被引：9

作者：

Aguado, AM ^{[1
]}

Curotto, E ^{[1
]}

机构：

[1] Beaver Coll, Dept Chem & Phys, Glenside, PA 19038 USA

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 330卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(00)01111-8

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 carry out a set of classical canonical and Fourier path integral simulations to obtain the finite temperature red shift of Ar-12-HF. We obtain two approximate estimators for the red shift based on Monte Carlo methods. Our results show a pronounced dependence of the red shift on temperature and isomerizations. The quantum effects on the red shift are substantial even at relatively elevated temperatures. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：440 / 446

页数：7

共 33 条

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