A simple method of treating atomic integrals containing functions of r12
Abstract
The electronic repulsion integrals occurring in atomic theory contain {1}/{r 12} and are usually handled by the Legendre expansion. In theories using correlated wave functions, more complicated functions of r12 may occur and the values of the corresponding integrals are here evaluated by a simple method using r12 as one of the integration variables. Some explicit integral formulas are given as examples.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- 1962
- DOI:
- 10.1016/0022-2852(62)90021-8
- Bibcode:
- 1962JMoSp...8..203C