The scattered-wave approach to molecular-orbital theory is generalized to the case where the one-electron potential can be represented by a model nonlocal operator which is dependent on the orbital energy and angular-momentum components. In its most elementary form, this operator reduces to the previously applied example of nonover-lapping, spherically averaged Hartree–Fock–Slater (HFS) or Slater Xα potentials. More general forms of the potential operator allow one to simulate the effects of truly overlapping potentials, without significantly sacrificing the computational advantages of the scattered-wave technique.

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