On the Evaluation of Two-Center Overlap and Coulomb Integrals with Noninteger-n Slater-Type Orbitals
- 1 December 1966
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 45 (11) , 4337-4341
- https://doi.org/10.1063/1.1727493
Abstract
Some formulas are developed which facilitate computation of two‐center overlap and Coulomb integrals with noninteger principal‐quantum‐number (n) Slater‐type orbitals by the Fourier‐transform convolution technique. A conceptually simple, closed‐form analytical expression for the overlap and Coulomb integrals with integer‐n Slater‐type orbitals is also given.Keywords
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