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Ground state of two electrons on concentric spheres

Loos, Pierre-Francois; Gill, Peter

Description

We extend our analysis of two electrons on a sphere to electrons on concentric spheres with different radii. The strengths and weaknesses of several electronic structure models are analyzed, ranging from the mean-field approximation (restricted and unrestricted Hartree-Fock solutions) to configuration interaction expansion, leading to near-exact wave functions and energies. The Møller-Plesset energy corrections (up to third-order) and the asymptotic expansion for the large-sphere regime are...[Show more]

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
URI: http://hdl.handle.net/1885/59958
Source: Physical Review A: Atomic, Molecular and Optical Physics
DOI: 10.1103/PhysRevA.81.052510

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