A fast real-space method for determining tight-binding linear muffin-tin orbital two-centre integrals

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1 Citation (Scopus)

Abstract

The authors derive an equation for the direct real space determination of approximate two-centre integrals in the tight-binding LMTO method. The method allows them to define explicitly the most localized screened structure constants for different crystal structures. Examples are given for SC, FCC, BCC and diamond structures and for silicon.

Original languageEnglish
Article number008
Pages (from-to)5391-5397
Number of pages7
JournalJournal of Physics: Condensed Matter
Volume4
Issue number24
DOIs
Publication statusPublished - Dec 1 1992

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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