https://doi.org/10.1140/epjb/e2016-70500-1
Regular Article
General expressions for the matrix elements of the tight-binding operator within the Racah-Wigner algebra*
Physikalisches Institut, Universität zu
Köln, Zülpicher Str.
77, 50937
Köln, Germany
a e-mail: moeller@ph1.uni-koeln.de
Received:
26
August
2016
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