A non-adiabatic calculation of NO Rydberg states above several ionisation thresholds

被引：5
|
作者：
Rabadan, I
Tennyson, J
Morgan, LA
机构：
[1] Univ London Univ Coll, Dept Phys & Astron, London WC1E 6BT, England
[2] Univ London Royal Holloway & Bedford New Coll, Ctr Comp, Egham TW20 0EX, Surrey, England
来源：
CHEMICAL PHYSICS LETTERS | 1998年 / 285卷 / 1-2期
基金：
英国工程与自然科学研究理事会;
关键词：
D O I：
10.1016/S0009-2614(98)00004-9
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：
An ab initio study of the ns, np, nd, nf and ng Rydberg series of NO above a number of ionisation thresholds is presented. Calculations of the eigenphase sum of electron scattering by NO+, using a non-adiabatic R-matrix method, are used to obtain vibrationally resolved positions and widths of NO autoionizing states. The complex quantum defects of the resonances are used to identify the Rydberg series, and these are separated according to the vibrational state of the target. Comparisons are made with experimental studies of this system. (C) 1998 Elsevier Science B.V.
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页码：105 / 113
页数：9
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