Generation of a two-center overlap integral over Slater orbitals of higher principal quantum numbers
- 1 February 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 45 (3) , 1454-1464
- https://doi.org/10.1103/physreva.45.1454
Abstract
The expressions for two-center overlap integrals between angular s, p, and d Slater orbitals of arbitrary, higher principal quantum number are explicitly listed. The expressions obtained are extremely compact and independent of the coordinate system. It is further shown that the numerical values of the integrals obtained in this way are free from any numerical instability.Keywords
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