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Multi-electron Inte...
Multi-electron Integrals
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- Reine, Simen (author)
- Dept. of Chemistry, Oslo University, Oslo, Norway,Theoretical Chemistry
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- Helgaker, Trygve (author)
- Dept. of Chemistry, Oslo University, Oslo, Norway,Theoretical Chemistry
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- Lindh, Roland, 1958- (author)
- Uppsala universitet,Teoretisk kemi,Quantum Chemistry
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Dept of Chemistry, Oslo University, Oslo, Norway Theoretical Chemistry (creator_code:org_t)
- 2011-07-06
- 2012
- English.
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In: WIREs Computational Molecular Science. - : Wiley. - 1759-0876 .- 1759-0884. ; 2:2, s. 290-303
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- 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
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- Theoretical chemistry
- Teoretisk kemi
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