pith. sign in

arxiv: 1004.2097 · v3 · pith:BJBTL7H2new · submitted 2010-04-13 · ❄️ cond-mat.other · cond-mat.str-el· physics.chem-ph

Ground state of two electrons on concentric spheres

classification ❄️ cond-mat.other cond-mat.str-elphysics.chem-ph
keywords electronsconcentricexpansionfunctionshartree-focklarge-spheresphysregime
0
0 comments X
read the original abstract

We extend our analysis of two electrons on a sphere [Phys. Rev. A {\bf 79}, 062517 (2009); Phys. Rev. Lett. {\bf 103}, 123008 (2009)] 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 M{\o}ller-Plesset energy corrections (up to third-order) and the asymptotic expansion for the large-spheres regime are also considered. We also study the position intracules derived from approximate and exact wave functions. We find evidence for the existence of a long-range Coulomb hole in the large-spheres regime, and infer that unrestricted Hartree-Fock theory over-localizes the electrons.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.