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A basis-set-free reference for the exact exchange-energy density and functional development

Price, Alastair J. A.
arXiv (All) · Papers
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chemical-physics
The exact local exchange-energy density, obtained from the Slater potential of the Hartree-Fock exchange hole, is a central ingredient of Becke's B05 and B13 functionals and of many other local hybrids. It is usually evaluated in a Gaussian basis, so the local quantity retains a pointwise basis-set
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