Magnetic dipole and one electron spin-orbit integrals over Slater functions
β Scribed by Matcha, Robert L.
- Book ID
- 120637689
- Publisher
- American Institute of Physics
- Year
- 1974
- Tongue
- English
- Weight
- 318 KB
- Volume
- 61
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Methods for the computation of one-and two-electron spin-orbit integrals over Gaussian-type basis functions are presented. We show that existing nuclear-attraction and electron-repulsion integral codes can be readily adapted for the efficient evaluation of spin-orbit integrals; in particular, one ca
## Abstract General formulas are obtained for evaluating a basic type of oneβcenter twoβelectron integral which arises in the computation of expectation values of spinβspin and spinβorbit operators over explicitly correlated wave functions. The correlation terms are assumed to be in the form of pro