Abstract
Singlet energy levels of benzene molecule were calculated using the complete CI method in π-electron approximation for two sets of semiempirical parameters. The inclusion of triply-,tetra-, and hexa-excited configurations has practically no effect on the values of singlet energy levels as far as parametrizations which are common in semiempirical procedures are employed. On the other hand, using parameters which are very similar to those obtained with theoretically calculated molecular integrals, appreciable changes in the energy spectrum are observed.
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