Testing Exact Upper Bounds to Exact Exchange

Proynov, E; Janesko, BG

Proynov, E; Janesko, BG (reprint author), Texas Christian Univ, Dept Chem & Biochem, Ft Worth, TX 76110 USA.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017; 13 (5): 1980

Abstract

The exact exchange energy and its energy density are useful but computationally expensive ingredients in density functional approximations for Kohn-Sh......

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