Dissociative recombination of HeH+. I. Rovibrational spectrum of HeH Rydberg states

被引：0
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作者：
Wolfgang P. Kraemer
Per-Åke Malmqvist
机构：
[1] Max Planck Institute for Astrophysics,
[2] P. O. Box 1523,undefined
[3] D- 85740 Garching,undefined
[4] Germany,undefined
[5] Department of Theoretical Chemistry,undefined
[6] Chemical Center,undefined
[7] P. O. Box 124,undefined
[8] University of Lund,undefined
[9] S-221 00 Lund,undefined
[10] Sweden,undefined
来源：
Theoretical Chemistry Accounts | 1998年 / 100卷
关键词：
Key words: Dissociative recombination; HeH Rydberg states; Adiabatic corrections; Diabatic coupling; Radiative; and non-radiative reaction rates;
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学科分类号：
摘要：
The repulsive ground electronic state X2Σ+ of HeH is strongly coupled to the Rydberg states at small interatomic distances. Such large couplings also occur between some of the Rydberg states. HeH+ ions that capture an electron in a Rydberg state end up in separated He and H atoms by indirect predissociation. This paper presents a study of potential functions and pertinent matrix elements involving the lowest electronic states: the 2Σ+ states, X, A, C, and D, and the 2Π states B and E. Individual transition rates as well as total radiative and non-radiative lifetimes have been computed for the lowest vibrational and rotational levels.
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页码：65 / 77
页数：12
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