Two-Center Two-Electron Spin-Spin and Spin-Orbit Hybrid Integrals
- 15 June 1972
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 56 (12), 5982-5989
- https://doi.org/10.1063/1.1677146
Abstract
General expressions for the two‐center hybrid integrals over Slater orbitals occurring in the evaluation of the spin‐spin and spin‐orbit interactions in diatomic molecules are derived. The final expressions are in the form of one‐dimensional integrals over functions which are readily evaluated.Keywords
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