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The Muffin-Tin-Orbital Point of View

Published online by Cambridge University Press:  25 February 2011

O. K. Andersen ,
A. V. Postnikov  and
S. Yu. Savrasov
O. K. Andersen
Affiliation:
Max-Planck-Institut fuir Festkörperforschung, D-7000 Stuttgart 80, FRG.
A. V. Postnikov
Affiliation:
Max-Planck-Institut fuir Festkörperforschung, D-7000 Stuttgart 80, FRG.
S. Yu. Savrasov
Affiliation:
Max-Planck-Institut fuir Festkörperforschung, D-7000 Stuttgart 80, FRG.
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Abstract

We review the interpretation of multiple-scattering theory in terms of muffin-tin orbitals. The use of slightly overlapping muffin-tin wells is justified rigorously. It is shown that the structure constants may be screened for a useful range of positive and negative energies, and that the screening may be chosen to yield desirable properties of the KKR matrix. Energy linearization and the linear muffin-tin-orbital method are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 253: Symposium V – Application of Multiple Scattering Theory to Materials Science , 1991 , 37
Copyright
Copyright © Materials Research Society 1992

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References

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