THEORETICAL CALCULATIONS OF THE RYDBERG SPECTRA OF ARH

被引：24

作者：

THEODORAKOPOULOS, G ^{[1
]}

PETSALAKIS, ID ^{[1
]}

BUENKER, RJ ^{[1
]}

机构：

[1] UNIV GESAMTHSCH WUPPERTAL,FACHBEREIGH 9,W-5600 WUPPERTAL 1,GERMANY

来源：

MOLECULAR PHYSICS | 1990年 / 71卷 / 05期

关键词：

D O I：

10.1080/00268979000102311

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 series of multireference (MRD-CI) calculations are presented for the electronic states of ArH correlating with the atomic limits up to Ar(1S) + H* (n = 3), in order to provide transition energies corresponding to the possible Rydberg spectra of ArH. The computed transition energies for several 2-PI --> A2-SIGMA+ transitions are found to be in good agreement with experimental T0 values, with discrepancies that in every case are smaller than 0.1 eV.

引用

页码：1055 / 1062

页数：8

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