Coulomb Integrals over Slater-Type Atomic Orbitals
- 15 November 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 49 (10) , 4306-4311
- https://doi.org/10.1063/1.1669875
Abstract
New general analytical formulas are derived for the two‐center Coulomb integral between real, Slater‐type atomic orbitals of arbitrary integer quantum numbers. The integral is expressed as a finite sum over powers and certain auxiliary functions. Procedures are given for numerical evaluation which are particularly suitable for use with an electronic digital computer of large storage capacity. Computation times are quoted.Keywords
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