Vibrational self-consistent field approach to anharmonic spectroscopy of molecules in solids: Application to iodine in argon matrix

被引：32

作者：

Bihary, Z. ^{[1
]}

Gerber, R.B. ^{[1
]}

Apkarian, V.A. ^{[1
]}

机构：

[1] Department of Chemistry, University of California, Irvine, CA 92697, United States

来源：

Journal of Chemical Physics | 2001年 / 115卷 / 06期

关键词：

Anisotropy - Argon - Boundary conditions - Iodine - Molecular spectroscopy - Raman spectroscopy - Solids;

D O I：

10.1063/1.1384870

中图分类号：

学科分类号：

摘要：

The vibrational self-consistent field method was extended for calculations of molecular vibrational spectroscopy in a crystalline solid environment. Using the prototype of iodine isolated in an argon matrix, it was demonstrated that the method is a powerful tool for matrix spectroscopy.

引用

页码：2695 / 2701