ELECTRONIC-PROPERTIES BY GREENS-FUNCTION CALCULATIONS RENORMALIZED OPTICAL-POTENTIAL RESULTS - NE, AR, HF, H2O, NH3

An optical potential approximated through its functional derivative expression is employed to obtain the one-electron Green's function (GF) for Ne, Ar, HF, H2O and NH3. Besides the more usual approximation, where an independent particles GF is utilized in the optical potential, a modified version employing a more correct GF is examined. The one-electron GF and the resulting total energies are computed with both optical potentials. The numerical results obtained for the examined systems indicate that satisfactory improvements may be expected by the renormalization procedure adopted.