Discrete Variational Method for the Energy Band Problem

  • D. E. Ellis
  • G. S. Painter
Part of the The IBM Research Symposia Series book series (IRSS)


One may well ask, why set forth yet another scheme to solve the periodic one-electron Schrodinger equation for a crystal? Our chief purpose is to develop a flexible and efficient approach which can be applied to systems treated only with difficulty by other methods; in particular the crystal potential should be unrestricted in form. Since solution of the band problem is only a starting point for evaluating crystalline properties, we require a method in which the wave functions are accessible and easily manipulated. The numerical-analytic scheme presented here is intended as an example of a large class of methods which can meet these needs.


Chief Purpose Coulomb Singularity Discrete Variational Method Projection Operator Technique Band Problem 
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Copyright information

© Plenum Press, New York 1971

Authors and Affiliations

  • D. E. Ellis
    • 1
  • G. S. Painter
    • 2
  1. 1.Physics DepartmentNorthwestern UniversityEvanstonUSA
  2. 2.Quantum Theory ProjectUniversity of FloridaGainesvilleUSA

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