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Multi-electron Integrals
Dept. of Chemistry, Oslo University, Oslo, Norway. (Theoretical Chemistry)
Dept. of Chemistry, Oslo University, Oslo, Norway. (Theoretical Chemistry)
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Theortical Chemistry. (Quantum Chemistry)ORCID iD: 0000-0001-7567-8295
2012 (English)In: Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0884, Vol. 2, no 2, 290-303 p.Article, review/survey (Refereed) Published
Abstract [en]

This review presents techniques for the computation of multi-electron integrals over Cartesian and solid-harmonic Gaussian-type orbitals as used in standard electronic-structure investigations. The review goes through the basics for one- and two-electron integrals, discuss details of various two-electron integral evaluation schemes, approximative methods, techniques to compute multi-electron integrals for explicitly correlated methods, and property integrals.

Place, publisher, year, edition, pages
2012. Vol. 2, no 2, 290-303 p.
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-146112DOI: 10.1002/wcms.78ISI: 000300668800007OAI: oai:DiVA.org:uu-146112DiVA: diva2:397577
Available from: 2011-02-16 Created: 2011-02-15 Last updated: 2015-01-08Bibliographically approved

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Lindh, Roland

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