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AbstractUse of symmetry in the framework of multiple scattering theory and with non-muffin-tin potentials is shown for a model molecular cluster. After a discussion of cellular symmetrised functions, as treated earlier by Williams and Morgan (1974), a procedure is detailed which fully exploits the results of cellular problem, to obtain the symmetrised molecular functions. Elements of secular matrix are given in a form appropriate for computations.
Rakhecha, V. C. ; Satya Murthy, N. S. (1981) Use of symmetry in non-muffin-tin multiple scattering theory Journal of Physics C: Solid State Physics, 14 (13). pp. 1809-1820. ISSN 0022-3719