A new method for calculating angular integrals in electron-atom scattering

被引:6
|
作者
Burke, VM [1 ]
机构
[1] CCLRC, Daresbury Lab, Dept Informat & Computat, Warrington WA4 4AD, Cheshire, England
关键词
atomic physics; electron scattering; matrix method; Hamiltonian matrix; angular integral; bound-bound;
D O I
10.1016/S0010-4655(98)00102-7
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
This paper reports a novel method for calculating certain angular integrals that occur in the matrix elements of the Hamiltonian which describes the scattering of an electron by a complex atom or ion. Specifically the method applies to those matrix elements which involve the quadratically integrable terms, the so-called bound-bound and bound-continuum matrix elements. It considerably reduces the number of integrals which need to be calculated giving an appreciable speed-up in the calculation for low values of the total orbital angular momentum. The application of the method to a data decomposition parallelization scheme for the construction of the Hamiltonian matrix is discussed. (C) 1998 Elsevier Science B.V.
引用
收藏
页码:210 / 224
页数:15
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