Ground state of two electrons on a sphere
dc.contributor.author | Loos, Pierre-Francois | |
dc.contributor.author | Gill, Peter | |
dc.date.accessioned | 2015-12-10T22:38:38Z | |
dc.date.issued | 2009 | |
dc.date.updated | 2016-02-24T10:42:51Z | |
dc.description.abstract | We 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.issn | 1050-2947 | |
dc.identifier.uri | http://hdl.handle.net/1885/56816 | |
dc.publisher | American Physical Society | |
dc.source | Physical Review A: Atomic, Molecular and Optical Physics | |
dc.subject | Keywords: Asymptotic solutions; Comprehensive studies; Energy correction; Singlet ground state; Unrestricted Hartree-Fock; Electronic structure; Ground state | |
dc.title | Ground state of two electrons on a sphere | |
dc.type | Journal article | |
local.bibliographicCitation.issue | 6 | |
local.bibliographicCitation.lastpage | 8 | |
local.bibliographicCitation.startpage | 062517/1 | |
local.contributor.affiliation | Loos, Pierre-Francois, College of Physical and Mathematical Sciences, ANU | |
local.contributor.affiliation | Gill, Peter, College of Physical and Mathematical Sciences, ANU | |
local.contributor.authoremail | u4622940@anu.edu.au | |
local.contributor.authoruid | Loos, Pierre-Francois, u4622940 | |
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 | u4217927xPUB376 | |
local.identifier.citationvolume | 79 | |
local.identifier.doi | 10.1103/PhysRevA.79.062517 | |
local.identifier.scopusID | 2-s2.0-67649889997 | |
local.identifier.thomsonID | 000267700100080 | |
local.identifier.uidSubmittedBy | u4217927 | |
local.type.status | Published Version |
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