A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions

The program MTRXCOUL calculates the matrix elements of the Coulomb interaction between a charged particle and an atomic electron. Bound-free transitions are considered, and non-relativistic hydrogenic wave functions are used. In this revised version a bug discovered in the F3Y CPC Program Library (PL) subprogram is fixed. Furthermore, the COULCC CPC PL subprogram applied for the calculations of the radial wave functions of the free states and the Bessel functions is replaced by the CPC PL subprogram DCOUL.

The previous version of this program (ADMW_v1_0) may be found at http://dx.doi.org/10.1016/S0010-4655(00)00160-0.

该程序MTRXCOUL用于计算带电粒子与原子电子之间库仑相互作用的矩阵元素。考虑了束缚-自由跃迁，并采用了非相对论氢原子波函数。在本次修订版本中，已修复在F3Y CPC程序库（PL）子程序中发现的错误。此外，用于计算自由态径向波函数和贝塞尔函数的COULCC CPC PL子程序已被CPC PL子程序DCOUL所替代。该程序的先前版本（ADMW_v1_0）可在以下链接找到：http://dx.doi.org/10.1016/S0010-4655(00)00160-0。