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Ground state of two electrons on a sphere

Loos, Pierre-Francois; Gill, Peter

Description

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.

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
URI: http://hdl.handle.net/1885/56816
Source: Physical Review A: Atomic, Molecular and Optical Physics
DOI: 10.1103/PhysRevA.79.062517

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