Skip navigation
Skip navigation
A change is coming. Click to see a sneak peek of the new Open Research Repository.

Intracule functional models: I. Angle-corrected correlation kernels

Request a Copy

link to publisher version

  • Altmetric Citations

Dumont, Elise; Crittenden, Deborah; Gill, Peter

Description

We explore the merits of applying a simple angle-dependent correction to the correlation kernel within the framework of Hartree-Fock-Wigner theory. Based on numerical results for the first eighteen atoms, we conclude that such a correction offers a significant improvement over the action kernel that we and others have explored previously.

dc.contributor.authorDumont, Elise
dc.contributor.authorCrittenden, Deborah
dc.contributor.authorGill, Peter
dc.date.accessioned2015-12-10T21:57:43Z
dc.identifier.issn1463-9076
dc.identifier.urihttp://hdl.handle.net/1885/39900
dc.description.abstractWe explore the merits of applying a simple angle-dependent correction to the correlation kernel within the framework of Hartree-Fock-Wigner theory. Based on numerical results for the first eighteen atoms, we conclude that such a correction offers a significant improvement over the action kernel that we and others have explored previously.
dc.publisherRoyal Society of Chemistry
dc.sourcePhysical Chemistry Chemical Physics
dc.titleIntracule functional models: I. Angle-corrected correlation kernels
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume9
dc.date.issued2007
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.ariespublicationu4217927xPUB185
local.type.statusPublished Version
local.contributor.affiliationDumont, Elise, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationCrittenden, Deborah, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationGill, Peter, College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.issue39
local.bibliographicCitation.startpage5340
local.bibliographicCitation.lastpage5343
local.identifier.doi10.1039/b709513a
dc.date.updated2015-12-09T07:47:52Z
local.identifier.scopusID2-s2.0-34948860552
CollectionsANU Research Publications

Download

File Description SizeFormat Image
01_Dumont_Intracule_functional_models:_2007.pdf160.64 kBAdobe PDF    Request a copy
Show simple item record


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  17 November 2022/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator