Publication Date:
2011-07-07
Description:
Author(s): Aftab Alam, S. N. Khan, Brian G. Wilson, and D. D. Johnson A numerically efficient, accurate, and easily implemented integration scheme over convex Voronoi polyhedra (VP) is presented for use in ab initio electronic-structure calculations. We combine a weighted Voronoi tessellation with isoparametric integration via Gauss-Legendre quadratures to provide rap... [Phys. Rev. B 84, 045105] Published Wed Jul 06, 2011
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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