Alternative choices of Coulomb channel functions

被引:7
作者
Guerout, R. [1 ]
Jungen, Ch. [1 ,2 ]
Oueslati, H. [1 ,3 ]
Ross, S. C. [4 ,5 ]
Telmini, M. [3 ]
机构
[1] Univ Paris 11, CNRS, Aime Cotton Lab, F-91405 Orsay, France
[2] UCL, Dept Phys & Astron, London WC1E 6BY, England
[3] Univ Tunis, Fac Sci Tunis, Dept Phys, LSAMA, Tunis 2092, Tunisia
[4] Univ New Brunswick, Dept Phys, Fredericton, NB E3B 5A3, Canada
[5] Tokyo Univ Sci, Infrared Free Electron Laser Res Ctr, Noda, Chiba 2788510, Japan
来源
PHYSICAL REVIEW A | 2009年 / 79卷 / 04期
关键词
ab initio calculations; potential energy functions; Rydberg states; QUANTUM-DEFECT THEORY; RESONANCE MULTIPHOTON IONIZATION; RYDBERG STATES; NO; ENERGY; SPECTRUM; SERIES; H2;
D O I
10.1103/PhysRevA.79.042717
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A class of Coulomb radial functions is defined for use in atomic or molecular Rydberg multichannel quantum-defect calculations. The associated accumulated radial phase parameters beta(epsilon) have a simple functional dependence on the energy, analogous to the familiar Rydberg relation where beta(epsilon)=pi(n(*)-l), with n(*)=(-epsilon)(-1/2), enabling easy use in the empirical fitting of complex multichannel spectra. However, "false roots" at low-energy and strong energy dependences of the quantum defects are largely avoided in the approach, which also may be implemented in the framework of ab initio R-matrix calculations in a straightforward manner. The method is illustrated with one-channel and multichannel examples relating to atomic potassium, nitric oxide, and molecular hydrogen.
引用
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页数:12
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