Abstract

It is shown that the usual overlapping spheres method must include, in the monoelectronic potential, some overlap terms which are not present in the functional form of the muffin-tin potential. A new truncated spheres approximate projection is presented and compared with other projections which make use of muffin-tin-like potentials. Results are presented for the potential corrections in the atomic region of the H2 molecule and for some transition metal dihalides, where a comparison between the calculated transition state eigenvalues and the experimental photoelectron spectra is presented.

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