The ``multiplehyphen;scattering'' technique of determining energy bands in solids is modified for the problem of calculating bound onehyphen;electron eigenstates of polyatomic molecules. The computational simplicity and applicability of this method to molecules of arbitrary complexity are dependent on the adoption of a model Hartreemdash;Fock Hamiltonian based on the Slater approximation to the exchange potential and on the assumption of truncated spherically averaged potentials. The composite wavefunctions are expanded in rapidly convergent partialhyphen;wave series around each atomic site. For molecules of moderate size, the calculations can easily be carried to selfhyphen;consistency within the spherical approximation, and firsthyphen;order perturbation theory can be applied to correct for the nonspherical components of the potential. Emphasis is placed on the advantages of this technique as a first step in calculating the theoretical electronic spectra of complex polyatomic systems.
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