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hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorFOERSTER, Dietrich
dc.description.abstractEnThe four center integrals needed in the Hartree Fock approximation and in TDDFT linear response are known to be difficult to calculate for orbitals of the Slater type or of finite range. We show that the interaction of pairs of products that do not mutually intersect may be replaced by the interaction of their moments, of which there are O(N). Only quadruplets of orbitals 'close' to one another need an explicit calculation and the total calculational effort therefore scales as O(N). We provide a new and concise proof of this "interaction by moments" property.
dc.language.isoen
dc.subject.enfour center integrals
dc.subject.enlinear response
dc.subject.eninteraction by moments
dc.title.enOn an "interaction by moments" property of four center integrals
dc.typeDocument de travail - Pré-publication
dc.subject.halPhysique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
dc.identifier.arxivphysics/0612187
hal.identifierhal-00121153
hal.version1
hal.audienceNon spécifiée
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00121153v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.au=FOERSTER,%20Dietrich&rft.genre=preprint


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