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- W2094987075 abstract "Closed form one centre partial wave perturbation results are obtained through second order in the energy for H-like molecules with arbitrary nuclear charges. The expansion centre for the method is taken at an arbitrary point along the internuclear axis and the zeroth-order wave function is a screened “1s” function centred at the expansion point. Various fixed one centre calculations of other workers for the lsσ states of H and HeH++ and for the 2pσ state of HeH++ are generated as limiting cases of this more general treatment. The floating one centre perturbation results for the 1sσ states of H2+ and HeH++ are used as models for discussing the usefulness of allowing the expansion centre in the one centre method to be a function of nuclear configuration." @default.
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- W2094987075 date "1972-09-01" @default.
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- W2094987075 title "A floating one centre perturbation treatment for H2+-like molecules" @default.
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- W2094987075 doi "https://doi.org/10.1002/qua.560060513" @default.
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