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Distributions of r 1 ⋅r 2 and p 1 ⋅p 2 in atoms

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dc.contributor.authorHollett, Joshua
dc.contributor.authorGill, Peter
dc.date.accessioned2015-12-10T23:06:49Z
dc.date.issued2012
dc.date.updated2015-12-10T08:56:50Z
dc.description.abstractWe consider the two-electron position and momentum dot products, α = r1·r2 and β = p1·p2, and present a method for extracting their distributions, A(α) and B(β), from molecular wave functions built on Gaussian basis functions. The characteristics of
dc.identifier.issn1549-9618
dc.identifier.urihttp://hdl.handle.net/1885/62820
dc.publisherAmerican Chemical Society
dc.sourceJournal of Chemical Theory and Computation (JCTC)
dc.titleDistributions of r 1 ⋅r 2 and p 1 ⋅p 2 in atoms
dc.typeJournal article
local.bibliographicCitation.issue5
local.bibliographicCitation.lastpage1662
local.bibliographicCitation.startpage1657
local.contributor.affiliationHollett, Joshua, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationGill, Peter, College of Physical and Mathematical Sciences, ANU
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.ariespublicationU4217927xPUB740
local.identifier.citationvolume8
local.identifier.doi10.1021/ct300218c
local.identifier.scopusID2-s2.0-84860751300
local.identifier.thomsonID000303628400015
local.type.statusPublished Version

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