Dipole and overlap integrals between slater-type functions and continuum coulomb functions
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资源简介：
Title of program: ONEINT
Catalogue Id: ABWB_v1_0
Nature of problem
Two-center one-electron dipole and overlap integrals between Slater- type functions and Coulomb continuum functions can be useful in computing molecular photoionization cross-sections. The Slater functions are assumed to be centered on the nuclei, A and B, and the Coulomb function can be centered at nucleus A or any point between A and B.
Versions of this program held in the CPC repository in Mendeley Data
ABWB_v1_0; ONEINT; 10.1016/0010-4655(76)90039-4
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
创建时间：
2019-11-11
