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Special points for two-dimensional Brillouin zone or Wigner–Seitz cell integrations

1980/04/01 by H. C. Chow, S. H. Vosko
Engineering · Materials Science · #Near-Field Optical Microscopy #Optical Coatings and Gratings #Surface Roughness and Optical Measurements

paper · doi:10.1139/p80-070

crossref issued 1980/04/01 · crossref published 1980/04/01 · crossref published-print 1980/04/01 · openalex publication_date 1980/04/01 · crossref created 2011/04/23 · crossref deposited 2025/07/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/31 · crossref indexed 2026/07/31

Abstract

Various methods of generating special point formulae for two–dimensional Brillouin zone or Wigner–Seitz cell integrations, useful for the calculation of surface properties, are compared. The direct solution of the coupled non-linear transcendental equations, which determine the special points and their weights, by means of a least squares method is found to be feasible for small numbers of sample points and yields the most efficient formulae. For large numbers of sample points the product Gauss–Chebychev method is most practical.

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