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Exact formulas for overlap integrals of Slater-type orbitals with equal screening constants (1981)

Jones, Herbert W.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 19 (1981), S. 567-574

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Exact formulas for 147 overlap integrals between Slater-type orbitals with equal screening constants are presented in the most simplified form. This represents all combinations of orbitals with quantum numbers: 1 ≤ N ≤ 5, 0 ≤ L ≤ 3, and M ≤ L. The formulas are automatically generated by computer using the “C-matrix” single-center expansion method. There are no limitations to the applicability of this method to orbitals of higher quantum numbers.

Additional Material: 1 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560190410

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