most citedEfficient treatment of local meta-generalized gradient density functionals via auxiliary density expansion: the density fitting (DF) J+X approximation

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physics.chem-ph2017★ 13 cited

Efficient treatment of local meta-generalized gradient density functionals via auxiliary density expansion: the density fitting (DF) J+X approximation

Alyssa V. Bienvenu, Gerald Knizia

We report an efficient technique to treat density functionals of the meta-generalized gradient approximation (mGGA) class in conjunction with density fitting of Coulomb terms (DF-J…