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- W829208434 abstract "The theory of basis set dependence in configuration interaction calculations is discussed, taking into account a perturbation model which is valid for small changes in the self-consistent field orbitals. It is found that basis set corrections are essentially additive through first order. It is shown that an error found in a previously published dipole moment calculation by Green (1972) for the metastable first excited state of CO was indeed due to an inadequate basis set as claimed." @default.
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- W829208434 date "1972-10-01" @default.
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- W829208434 title "Electric dipole moment of diatomic molecules by configuration interaction. IV." @default.
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