Solution of differential equations for exchange matrix elements in heavy particle collisions

Published: 1 January 1973| Version 1 | DOI: 10.17632/t36hdwtjzb.1
L.A. Parcell


Title of program: SOLVE D.E. FOR MATRIX ELEMENTS Catalogue Id: AAGU_v1_0 Nature of problem In calculating cross sections for atomic collisions employing the impact parameter approximation, exchange matrix elements arise as coefficients of the differential equations for the transition amplitudes. Their evaluation is complicated by phase factors due to electron transfer momentum. The program calculates a general one- electron two-centre exchange integral in terms of which the matrix elements can be expressed. Versions of this program held in the CPC repository in Mendeley Data AAGU_v1_0; SOLVE D.E. FOR MATRIX ELEMENTS; 10.1016/0010-4655(73)90070-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics