Intracule functional models. V. Recurrence relations for two-electron integrals in position and momentum space

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dc.contributor.authorHollett, Joshua
dc.contributor.authorGill, Peter
dc.date.accessioned2015-12-10T22:43:53Z
dc.date.issued2011
dc.date.updated2015-12-09T11:18:08Z
dc.description.abstractThe approach used by Ahlrichs [Phys. Chem. Chem. Phys., 2006, 8, 3072] to derive the Obara-Saika recurrence relation (RR) for two-electron integrals over Gaussian basis functions, is used to derive an 18-term RR for six-dimensional integrals in phase space and 8-term RRs for three-dimensional integrals in position or momentum space. The 18-term RR reduces to a 5-term RR in the special cases of Dot and Posmom intracule integrals in Fourier space. We use these RRs to show explicitly how to construct Position, Momentum, Omega, Dot and Posmom intracule integrals recursively.
dc.identifier.issn1463-9076
dc.identifier.urihttp://hdl.handle.net/1885/58361
dc.publisherRoyal Society of Chemistry
dc.sourcePhysical Chemistry Chemical Physics
dc.titleIntracule functional models. V. Recurrence relations for two-electron integrals in position and momentum space
dc.typeJournal article
local.bibliographicCitation.issue7
local.bibliographicCitation.lastpage2978
local.bibliographicCitation.startpage2972
local.contributor.affiliationHollett, Joshua, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationGill, Peter, College of Physical and Mathematical Sciences, ANU
local.contributor.authoremailu1586534@anu.edu.au
local.contributor.authoruidHollett, Joshua, u4776629
local.contributor.authoruidGill, Peter, u1586534
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationu4005981xPUB439
local.identifier.citationvolume13
local.identifier.doi10.1039/C0CP02154G
local.identifier.scopusID2-s2.0-79551624685
local.identifier.thomsonID000286890500061
local.identifier.uidSubmittedByu4005981
local.type.statusPublished Version

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