WFRF:(Reine Simen)
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- Reine, SimenDept. of Chemistry, Oslo University, Oslo, Norway,Theoretical Chemistry (author)
Multi-electron Integrals
- Article/chapterEnglish2012
Publisher, publication year, extent ...
- 2011-07-06
- Wiley,2012
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:uu-146112
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-146112URI
- https://doi.org/10.1002/wcms.78DOI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
Classification
Notes
- 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.
Subject headings and genre
- NATURVETENSKAP Kemi Teoretisk kemi hsv//swe
- NATURAL SCIENCES Chemical Sciences Theoretical Chemistry hsv//eng
- Theoretical chemistry
- Teoretisk kemi
Added entries (persons, corporate bodies, meetings, titles ...)
- Helgaker, TrygveDept. of Chemistry, Oslo University, Oslo, Norway,Theoretical Chemistry (author)
- Lindh, Roland,1958-Uppsala universitet,Teoretisk kemi,Quantum Chemistry(Swepub:uu)rolli621 (author)
- Dept. of Chemistry, Oslo University, Oslo, NorwayTheoretical Chemistry (creator_code:org_t)
Related titles
- In:WIREs Computational Molecular Science: Wiley2:2, s. 290-3031759-08761759-0884
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