J.C. Marinace
JES
Multiple scattering theory (MST) is developed for arbitrary local potentials. The resulting method is exact and differs from the usual muffin-tin formalism only in requiring an improved treatment of single centre scattering; propagation between scattering events is described by the same free-particle Green function (structure constants) which arises in the muffin-tin formalism. Detailed numerical tests are presented which demonstrate the effectiveness of the method for a model of crystalline silicon for which exact numerical solutions are available. The results indicate that earlier approximate generalizations of the theory, while helpful, remove only about 2/3 of the error introduced by the muffin-tin approximation.
J.C. Marinace
JES
J.A. Barker, D. Henderson, et al.
Molecular Physics
S. Cohen, T.O. Sedgwick, et al.
MRS Proceedings 1983
S.F. Fan, W.B. Yun, et al.
Proceedings of SPIE 1989