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“Poor-Man’s Self-Consistency”

  • A. Pisanty
  • C. Amador
  • M. A. Martínez-Carrillo

Abstract

Self-consistent LSDF potentials resulting from LMTO calculations are used to start embedded-cluster calculations of electronic structure of ordered and moderately disordered solids in a Lloyd multiple-scattering formalism, This is done as a shortcut to remedy the difficulties of attaining full self-consistency in this approach. We report results obtained with this technique on the interplay between the local chemical environment and the magnetic moment of a nickel atom in the nickel-platinum system near the 3:1 composition ratio.

Keywords

Local Density Cluster Calculation Nickel Atom State Curve Heavy Line 
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Copyright information

© Springer-Verlag New York, Inc. 1991

Authors and Affiliations

  • A. Pisanty
  • C. Amador
  • M. A. Martínez-Carrillo

There are no affiliations available

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