THE ROVIBRATIONAL NU-2 RAMAN-SPECTRUM OF AMMONIA - A COMPARISON OF THEORY AND EXPERIMENT

被引：13

作者：

WORMER, PES ^{[1
]}

OLTHOF, EHT ^{[1
]}

ENGELN, RAH ^{[1
]}

REUSS, J ^{[1
]}

机构：

[1] UNIV NIJMEGEN,DEPT MOLEC & LASER PHYS,6525 ED NIJMEGEN,NETHERLANDS

来源：

CHEMICAL PHYSICS | 1993年 / 178卷 / 1-3期

关键词：

D O I：

10.1016/0301-0104(93)85060-L

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 Raman spectrum of NH3 has been measured between 815 and 1100 cm-(1) in a cell at room temperature. The rotationally and inversionally resolved spectrum and depolarization ratios are compared with purely ab initio results. These are obtained from self-consistent field calculations, corrected for correlation effects by the second-order Moller-Plesset method, and an ensuing solution of a 5-dimensional nuclear motion problem (including rotations).

引用

页码：189 / 206

页数：18

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