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

DOI10.1016/S0010-4655(97)00060-XMaRDI QIDQ1301540zbMATH OpenOpenAlexFDO

Authors J. Fernández Rico, Rafael 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

exponential-declining orbitalsGaussian expansionsmulticenter integralsSlatter-type orbitalsSTO-nG expansions

Mathematics Subject Classification ID

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

Cited in

(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

This page was built for publication: Calculation of many-centre two-electron molecular integrals with STO

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1301540)