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Electron correlation energy in confined two-electron systems | | C. L. Wilson
; H. E. Montgomery Jr
; K. D. Sen
; D. C. Thompson
; | | Date: |
25 Aug 2010 | | Abstract: | Radial, angular and total correlation energies are calculated for four
two-electron systems with atomic numbers Z=0-3 confined within an impenetrable
sphere of radius R. We report accurate results for the non-relativistic,
restricted Hartree-Fock and radial limit energies over a range of confinement
radii from 0.05 - 10 a0. At small R, the correlation energies approach limiting
values that are independent of Z while at intermediate R, systems with Z > 1
exhibit a characteristic maximum in the correlation energy resulting from an
increase in the angular correlation energy which is offset by a decrease in the
radial correlation energy. | | Source: | arXiv, 1008.4366 | | Services: | Forum | Review | PDF | Favorites | |
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