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Calculation of Overlap Integrals over Slater Orbitals with Nearly Equal Exponents

M. Grodzicki ; I. Institut fur Theoretische Physik Jungiusstr. 9, D-2000 Hamburg 36, West Germany

Puni tekst: engleski, pdf (2 MB) str. 263-268 preuzimanja: 204* citiraj
APA 6th Edition
Grodzicki, M. (1987). Calculation of Overlap Integrals over Slater Orbitals with Nearly Equal Exponents. Croatica Chemica Acta, 60 (2), 263-268. Preuzeto s https://hrcak.srce.hr/176353
MLA 8th Edition
Grodzicki, M.. "Calculation of Overlap Integrals over Slater Orbitals with Nearly Equal Exponents." Croatica Chemica Acta, vol. 60, br. 2, 1987, str. 263-268. https://hrcak.srce.hr/176353. Citirano 28.02.2021.
Chicago 17th Edition
Grodzicki, M.. "Calculation of Overlap Integrals over Slater Orbitals with Nearly Equal Exponents." Croatica Chemica Acta 60, br. 2 (1987): 263-268. https://hrcak.srce.hr/176353
Harvard
Grodzicki, M. (1987). 'Calculation of Overlap Integrals over Slater Orbitals with Nearly Equal Exponents', Croatica Chemica Acta, 60(2), str. 263-268. Preuzeto s: https://hrcak.srce.hr/176353 (Datum pristupa: 28.02.2021.)
Vancouver
Grodzicki M. Calculation of Overlap Integrals over Slater Orbitals with Nearly Equal Exponents. Croatica Chemica Acta [Internet]. 1987 [pristupljeno 28.02.2021.];60(2):263-268. Dostupno na: https://hrcak.srce.hr/176353
IEEE
M. Grodzicki, "Calculation of Overlap Integrals over Slater Orbitals with Nearly Equal Exponents", Croatica Chemica Acta, vol.60, br. 2, str. 263-268, 1987. [Online]. Dostupno na: https://hrcak.srce.hr/176353. [Citirano: 28.02.2021.]

Sažetak
A series expansion is derived for overlap integrals between Slater type orbitals with nearly equal screening constants and simple analytical expressions are obtained if both of them are equal. Unlike the known standard methods no numerical instabilities arise and also no restrictions exist with respect to the quantum numbers n, 1 and m of the orbitals.

Hrčak ID: 176353

URI
https://hrcak.srce.hr/176353

Posjeta: 278 *