Theoretical and Mathematical Physics

, Volume 96, Issue 3, pp 1092–1098 | Cite as

A new completely orthogonalized plane-waves formalism in the pseudopotential theory

  • T. Bryk
  • Z. Gurskii
Article
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Abstract

A new approach based on the completely orthogonalized plane-waves (COPW) formalism is developed in the pseudopotential theory. Use of the complete and orthonormalized basis for the solution of the eigenvalue problem is the main feature of the COPW method. The COPW method allows one to perform the similarity transformation of the Schrödinger equation and obtain a rigorous definition of the W COPW pseudopotential. The explicit expressions of the W COPW form factors are presented and analyzed. The peculiarities and advantages of the COPW approach in comparison with the conventional pseudopotential theory methods are discussed in detail.

Keywords

Form Factor Eigenvalue Problem Explicit Expression Orthonormalized Basis Theory Method 
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Copyright information

© Plenum Publishing Corporation 1993

Authors and Affiliations

  • T. Bryk
  • Z. Gurskii

There are no affiliations available

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