General expressions for the matrix elements of the tight-binding operator within the Racah-Wigner algebra*
Physikalisches Institut, Universität zu
Köln, Zülpicher Str.
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Received in final form: 28 October 2016
Published online: 21 December 2016
General expressions for the matrix elements of the tight-binding operator are presented using the Racah-Wigner algebra, where the wave functions are expressed as coupled multiplet wave functions within a given angular momentum coupling scheme. The knowledge of all possible Slater determinants is not necessary and the matrix elements can be written as compact expressions computable with arbitrary accuracy.
Key words: Computational Methods
Supplementary material in the form of one pdf file available from the Journal web page at http://dx.doi.org/10.1140/epjb/e2016-70500-1
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2016