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Recent Developments in KKR Theory

  • A. R. Williams
  • S. M. Hu
  • D. W. Jepsen
Part of the The IBM Research Symposia Series book series (IRSS)

Abstract

The KKR or Green’s function method has been generalized and sophisticated by many workers. We present here three steps in the method’s continuing evolution. First, we generalize the method to accommodate greater deviations of the potential from muffin-tin form. Second, by clarifying the relation between KKR and the cellular method, we arrive at a new prescription for the wave function. Third, we describe our efforts (not yet completely successful) to qualitatively decrease the time required for KKR calculations by eliminating the necessity for determinant evaluation. Finally, we offer our opinion concerning the relative merits of various methods discussed at the conference.

Keywords

Wave Function Schrodinger Equation Secular Equation Inverse Iteration Cellular Expansion 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Press, New York 1971

Authors and Affiliations

  • A. R. Williams
    • 1
  • S. M. Hu
    • 1
    • 2
  • D. W. Jepsen
    • 1
  1. 1.IBM Thomas J. Watson Research CenterYorktown HeightsUSA
  2. 2.IBM Components DivisionEast FishkillUSA

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