NASA NTRS · 19840058089
Computer-generated formulas for three-center nuclear-attraction integrals (electrostatic potential) for Slater-type orbitals
Abstract
The computer-assisted C-matrix, Loewdin-alpha-function, single-center expansion method in spherical harmonics has been applied to the three-center nuclear-attraction integral (potential due to the product of separated Slater-type orbitals). Exact formulas are produced for 13 terms of an infinite series that permits evaluation to ten decimal digits of an example using 1s orbitals.
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Jones, H. W.. 1984-07-01. Computer-generated formulas for three-center nuclear-attraction integrals (electrostatic potential) for Slater-type orbitals. https://ntrs.nasa.gov/citations/19840058089
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