Applications of the quadratic Korringa-Kohn-Rostoker band-theory method
- 15 April 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (12) , 8187-8192
- https://doi.org/10.1103/physrevb.39.8187
Abstract
Comparisons with other calculations in the literature are used to demonstrate that the quadratic Korringa-Kohn-Rostoker band-theory method gives excellent eigenvalues for full self-consistent potentials with no shape approximation. The equations for the Green function are reformulated, thus eliminating a problem that had hampered calculations of self-consistent potentials and total energies with the use of this method.Keywords
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