Ground state of two electrons on concentric spheres
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]
|Collections||ANU Research Publications|
|Source:||Physical Review A: Atomic, Molecular and Optical Physics|
|01_Loos_Ground_state_of_two_electrons_2010.pdf||540.34 kB||Adobe PDF||Request a copy|
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