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Generalized phase shifts for a cluster of muffin‐tin potentials
Author(s) -
John W.,
Ziesche P.
Publication year - 1971
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220470221
Subject(s) - tin , cluster (spacecraft) , phase (matter) , physics , mathematical analysis , mathematics , quantum mechanics , mathematical physics , chemistry , organic chemistry , computer science , programming language
Starting with the partial wave method generalized to non‐spherically symmetric potentials by Demkov and Rudakov a purely algebraic scheme is proposed how to calculate the generalized phase shifts for a cluster of non‐overlapping muffin‐tin potentials. These cluster phase shifts and the corresponding partial wave amplitudes are determined by a system of homogeneous linear equations, into which the phase shifts of each muffin‐tin potential and the structure enter separately, completely similar to the KKR method for the band structure of a crystal. By the proposed scheme bound states can also be calculated, the number of which is limited by the properties of cluster phase shifts. As a mathematical remedy an addition theorem about the spherical Neumann functions is derived.