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Analysis of numerical methods for evaluating the Fock exchange integral in a plane wave basis


N. A. W. Holzwarth and Xiao Xu, Phys. Rev. B 84 113102 (4 pgs; brief report) (2011) local copy

In this brief report, we analyze methods for evaluating the singular integrals of the Fock exchange interaction with the help of a simple analytic model. We find that Brillouin zone sampling can be important even for systems with large unit cells.



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