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Electron correlation energy in confined two-electron systems
Ist Teil von
Physics letters. A, 2010-09, Vol.374 (43), p.4415-4419
Ort / Verlag
Elsevier B.V
Erscheinungsjahr
2010
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
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
a
0
. 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.