A new, fully ab initio investigation of the ArNO(X 2Π) system.: II.: Bound states of the Ar-NO complex

被引：41
|
作者：
Alexander, MH [1 ]
机构：
[1] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA
来源：
JOURNAL OF CHEMICAL PHYSICS | 1999年 / 111卷 / 16期
关键词：
D O I：
10.1063/1.480067
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 report an investigation of bound states of the ArNO complex, based on new coupled-cluster [CCSD(T)] ab initio potential energy surfaces. The position and relative spacing of the lowest bend-stretch levels of the complex are found to be in noticeable better agreement with available experimental results than the predictions based on earlier ArNO PES's. (C) 1999 American Institute of Physics. [S0021-9606(99)30238-5].
引用
收藏
页码：7435 / 7439
页数：5
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