Slater-Koster table

The Slater and Koster (1954) tables of interatomic matrix elements as functions of the direction cosines, /, m, and /i, of the vector from the left state to the right state. Other matrix elements are found by permuting indices. General formulae for these expressions and explicit expressions involving/ and r/ orbitals have been given recently by Sharma (1979). 

The Slater and Koster (1954) tables of interatomic matrix elements as functions of the... 

These depend upon d, and estimates for them are given in the Solid State Table We shall return to the origin of these expressions later. The expressions used b> Slater and Koster, which they derived from the transformation given a Eq. (19-21), arc listed in Table 20-1. We have reproduced the full table, including matrix elements involving s and p stales, for complclenc.ss. We now have every thing required to obtain the Hamiltonian matrix and, therefore, the bands. 

Giese, T. J., and York, D. M. (2008). Spherical tensor gradient operator method for integral rotation A simple, efficient, and extendable alternative to Slater-Koster tables,/. Chem. Phys. 129(1), 016102. 

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