Analytical Evaluation of Multicenter Integrals of r12−1 with Slater-Type Atomic Orbitals VI. Asymptotic Expansions for Large Internuclear Distances
- 1 December 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 53 (11) , 4269-4285
- https://doi.org/10.1063/1.1673933
Abstract
Asymptotic expansions valid for large internuclear distances are derived for the four‐center integral of with Slater‐type atomic orbitals. In certain cases, the dominant part of the complete expansion is a multipole‐moment‐type expansion. The asymptotic formulas are simpler than the convergent formulas given previously, but some are not directly applicable when certain combinations of orbital exponents vanish.
Keywords
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