Slater-Koster tables for f electrons
- 10 February 1980
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 13 (4) , 583-588
- https://doi.org/10.1088/0022-3719/13/4/016
Abstract
By representing f orbitals by cubic harmonics, overlap (or energy) integrals for f electrons have been calculated in terms of two-centre integrals. Results of s-f, p-f, d-f and f-f integrals are useful in making the tight-binding calculation as an interpolation method for substances with rare-earth or actinide elements.Keywords
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