Abstract
Hartree limit vibrational SCF energies, wavefunctions, and coordinate expectation values for H 2O, HNO, HOF, and HOCl (and isotopically substituted analogs) are compared with accurate CI values. It is found that the SCF procedure accounts very well for the contributions of singly-substituted configurations while giving a poor description of multiply-substituted configurations. The very good agreement between the SCF and CI expectation value suggests that the SCF procedure is particularly suited for ground state vibrational averaging applications.
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