Calculation of the matrix elements of the Coulomb interaction involving relativistic hydrogenic wave functions ☆☆

Abstract
A program is presented for calculation of the matrix elements of the Coulomb interaction between a charged particle and an atomic electron, ∫ψ_f ^† (r)|R-r|^(-1)ψ _i (r)dr. Bound-free transitions are considered. Relativistic hydrogenic wave functions are used for the numerical evaluation of the matrix elements. The applied algorithm is based on the multipole series expansion of the Coulomb potential. The radial part of the terms of this series expansion (known as G functions) can also be ob...

Title of program: MTRDCOUL
Catalogue Id: ADOX_v1_0

Nature of problem
The theoretical description of the excitation and ionization of atoms by charged particle impact often requires the knowledge of the matrix elements of the Coulomb interaction. The program MTRDCOUL calculates the matrix elements between bound and free states represented by relativistic hydrogenic wave functions.

Versions of this program held in the CPC repository in Mendeley Data
ADOX_v1_0; MTRDCOUL; 10.1016/S0010-4655(01)00294-6

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

摘要
本程序旨在计算带电粒子与原子电子之间库仑相互作用矩阵元，即∫ψ_f^†(r)|R-r|^(-1)ψ_i(r)dr的计算。考虑了束缚-自由跃迁。程序中采用了相对论性氢原子波函数对矩阵元进行数值评估。所采用的算法基于库仑势的多极级数展开。此级数展开的径向部分（称为G函数）的径向部分也可...