Self-Consistent Hartree-Fock-Wigner Calculations: A Two-Electron-Density Functional Theory
dc.contributor.author | O'Neill, Darragh P | |
dc.contributor.author | Gill, Peter | |
dc.date.accessioned | 2015-12-10T22:14:58Z | |
dc.date.issued | 2007 | |
dc.date.updated | 2015-12-09T08:11:41Z | |
dc.description.abstract | We recently presented a correlation method based on the Wigner intracule, in which correlation energies are calculated directly from a Hartree-Fock wavefunction. We now describe a self-consistent form of this approach which we term the Hartree-Fock-Wigner method. The efficacy of the new scheme is demonstrated using a simple weight function to reproduce the correlation energies of the first- and second-row atoms with a mean absolute deviation of 2.5 mEh. | |
dc.identifier.isbn | 9780841238435 | |
dc.identifier.uri | http://hdl.handle.net/1885/50409 | |
dc.publisher | American Chemical Society | |
dc.relation.ispartof | Electron Correlation Methodology | |
dc.relation.isversionof | 1st Edition | |
dc.title | Self-Consistent Hartree-Fock-Wigner Calculations: A Two-Electron-Density Functional Theory | |
dc.type | Book chapter | |
local.bibliographicCitation.lastpage | 36 | |
local.bibliographicCitation.placeofpublication | United States of America | |
local.bibliographicCitation.startpage | 27 | |
local.contributor.affiliation | O'Neill, Darragh, College of Physical and Mathematical Sciences, ANU | |
local.contributor.affiliation | Gill, Peter, College of Physical and Mathematical Sciences, ANU | |
local.contributor.authoremail | u1586534@anu.edu.au | |
local.contributor.authoruid | O'Neill, Darragh, u4169292 | |
local.contributor.authoruid | Gill, Peter, u1586534 | |
local.description.embargo | 2037-12-31 | |
local.description.notes | Imported from ARIES | |
local.identifier.absfor | 030701 - Quantum Chemistry | |
local.identifier.ariespublication | u4217927xPUB203 | |
local.identifier.scopusID | 2-s2.0-36849054409 | |
local.identifier.uidSubmittedBy | u4217927 | |
local.type.status | Published Version |
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