Ground state of two electrons on a sphere

dc.contributor.authorLoos, Pierre-Francois
dc.contributor.authorGill, Peter
dc.date.accessioned2015-12-10T22:38:38Z
dc.date.issued2009
dc.date.updated2016-02-24T10:42:51Z
dc.description.abstractWe have performed a comprehensive study of the singlet ground state of two electrons on the surface of a sphere of radius R. We have used electronic structure models ranging from restricted and unrestricted Hartree-Fock theories to explicitly correlated treatments, the last of which leads to near-exact wave functions and energies for any value of R. Møller-Plesset energy corrections (up to fifth-order) are also considered, as well as the asymptotic solution in the large- R regime.
dc.identifier.issn1050-2947
dc.identifier.urihttp://hdl.handle.net/1885/56816
dc.publisherAmerican Physical Society
dc.sourcePhysical Review A: Atomic, Molecular and Optical Physics
dc.subjectKeywords: Asymptotic solutions; Comprehensive studies; Energy correction; Singlet ground state; Unrestricted Hartree-Fock; Electronic structure; Ground state
dc.titleGround state of two electrons on a sphere
dc.typeJournal article
local.bibliographicCitation.issue6
local.bibliographicCitation.lastpage8
local.bibliographicCitation.startpage062517/1
local.contributor.affiliationLoos, Pierre-Francois, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationGill, Peter, College of Physical and Mathematical Sciences, ANU
local.contributor.authoremailu4622940@anu.edu.au
local.contributor.authoruidLoos, Pierre-Francois, u4622940
local.contributor.authoruidGill, Peter, u1586534
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.ariespublicationu4217927xPUB376
local.identifier.citationvolume79
local.identifier.doi10.1103/PhysRevA.79.062517
local.identifier.scopusID2-s2.0-67649889997
local.identifier.thomsonID000267700100080
local.identifier.uidSubmittedByu4217927
local.type.statusPublished Version

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