First-order perturbation theory is used to obtain approximate Born-Oppenheimer wavefunctions, the zeroth-order wavefunctions being of the SCF LCAO MO CI type, with atomic orbitals ``following'' the nuclei. A practical determination of these functions within a CNDO/S scheme is presented. The intensities of forbidden transitions of formaldehyde and benzene are calculated with these functions and a comparison is made with previously reported results obtained by the conventional Herzberg-Teller expansion.
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Roché et al. (1974) studied this question.
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