Abstract
One-center electron repulsion integrals can always be evaluated analytically,1,2 if desired, whether Slater or Gaussian orbitals are used, but the formulas can be put in a number of algebraic forms. While making some modifications in an atomic self-consistent-field program3, I derived integral formulas in an improved form which I had not seen elsewhere.
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References
Roothaan, C.C.J. and Bagus, P.S.: 1963, Math. Comp. Phys. 2, p. 47.
Huzinaga, S.: 1965, J. Chem. Phys. 42, p. 1293.
Roos, B., Salez, C., Veillard, A. and Clementi, E.: 1968, IBM Research RJ518.
Korn, G.A. and Korn, T.M.: 1968, Mathematical Handbook for Scientists and Engineers, 2nd ed., McGraw-Hill, New York, Table 21.5–1(a).
Dunning, T.H. and Hay, P.J.: 1977, Methods of Electronic Structure Theory III, Schaefer, H.F. (Ed.), Plenum, New York, p.l.
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© 1982 D. Reidel Publishing Company, Dordrecht, Holland
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Pitzer, R.M. (1982). One-Center Electron Repulsion Integrals for Slater and Gaussian Orbitals. In: Weatherford, C.A., Jones, H.W. (eds) ETO Multicenter Molecular Integrals. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-7921-5_11
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DOI: https://doi.org/10.1007/978-94-009-7921-5_11
Publisher Name: Springer, Dordrecht
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