Calculation of many-centre two-electron molecular integrals with STO

DOI10.1016/S0010-4655(97)00060-XzbMath0938.81569OpenAlexW2056635984MaRDI QIDQ1301540

J. Fernández Rico, Rafael Beltran Lopez, Ignacio Ema, Guillermo Ramírez

Publication date: 26 April 2000

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0010-4655(97)00060-x

zbMATH Keywords

multicenter integralsexponential-declining orbitalsGaussian expansionsSlatter-type orbitalsSTO-nG expansions

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Related Items (2)

The Fourier transform method and the \(S\overline D\) approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals ⋮ Rational approximants to evaluate four-center electron repulsion integrals for \(1s\) hydrogen Slater type functions

Cites Work

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