THEORETICAL CALCULATION OF THE HUGGINS BAND OF OZONE

被引：25
|
作者：
LEQUERE, F [1 ]
LEFORESTIER, C [1 ]
机构：
[1] UNIV PARIS 11,CHIM THEOR LAB,F-91405 ORSAY,FRANCE
来源：
CHEMICAL PHYSICS LETTERS | 1992年 / 189卷 / 06期
关键词：
D O I：
10.1016/0009-2614(92)85246-7
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 3D quantum calculation is used to compute relative positions and intensities of the lines in the Huggins band of the ozone UV spectra. The calculation involves the recently computed ab initio B-1(2) electronic state of Yamashita and Morokuma. The results confirm that this transition is responsible for the Huggins band and show the very good quality of potential energy surface.
引用
收藏
页码：537 / 541
页数：5
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