Abstract
We have extended a form of double perturbation theory for molecules by including a screening constant in the calculation. We have computed the ground state energies for the diatomic systems H2+, HHe2+, H2 and HHe+ with inclusion of screening. A comparison of the results with those in the unscreened approximation is interesting. Thus for the one-electron systems the energies up to second order are better if we do not include screening. However, for the two-electron systems the energies up to second order are improved by screening except at small internuclear separation.
Original language | English (US) |
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Pages (from-to) | 673-680 |
Number of pages | 8 |
Journal | Molecular Physics |
Volume | 22 |
Issue number | 4 |
DOIs | |
State | Published - Jan 1 1971 |