Local Exchange Potentials for Electronic Structure Calculations
Eric Cancès, Gabriel Stoltz, Gustavo E. Scuseria, Viktor N. Staroverov, Ernest R. Davidson (2009)
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The Hartree-Fock exchange operator is an integral operator arising in the Hartree-Fock model as well as in some instances of the density functional theory. In a number of applications, it is convenient to approximate this integral operator by a multiplication operator, i.e. by a local potential. This article presents a detailed analysis of the mathematical properties of various local approximations to the nonlocal Hartree-Fock exchange operator including the Slater potential, the optimized...