Local hybrid functionals involve position-dependent mixing of Hartree-Fock and density-functional exchange, which should allow improved performance relative to conventional hybrids by reducing the inherent delocalization error. Herein, we use the same-spin correlation length, obtained from the Fermi-hole radius, as the mixing parameter. The performance of the resulting local hybrid functional is assessed for standard thermochemical and kinetics benchmarks and the results compared with those of the corresponding global hybrid.

Local-hybrid functional based on the correlation length

248th National Meeting (2014)

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