KKR Analysis of the Anderson-McMillan Theory of Electronic Structure of Liquid Metals.
CALIFORNIA UNIV SAN DIEGO LA JOLLA DEPT OF PHYSICS
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The method of Anderson and McMillan AM has recently been demonstrated to fail for resonant scatterers while nevertheless providing a useful bandstructure approximation for non-resonant scatterers. The authors explain this behavior by using the formalism of Korringa, Kohn, and Rostoker KKR to relate the AM method to well known approximations in the band theory of crystalline solids. In particular the authors show that the AM method for the dispersion relation of a liquid metal is essentially an optimized single-orthogonalized-plane-wave approximation to the bandstructure of a crystal at the same density.
- Physical Chemistry
- Solid State Physics