One-Center Electron Repulsion Integrals for Slater and Gaussian Orbitals

  • Pitzer R
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Abstract

For calcg. 1-center, electron-repulsion integrals over STO's and GTO's, relations were derived, which provide for (a) ease of computation and programming, (b) freedom from differing effects, and (c) the ability to save intermediate quantities to simplify the calcn. of other similar integrals. [on SciFinder(R)]

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Pitzer, R. M. (1982). One-Center Electron Repulsion Integrals for Slater and Gaussian Orbitals. In ETO Multicenter Molecular Integrals (pp. 123–127). Springer Netherlands. https://doi.org/10.1007/978-94-009-7921-5_11

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