机译:A local hybrid exchange functional approximation from first principles
Karlsruhe Inst Technol KIT;
Philipps Univ Marburg;
GENERALIZED GRADIENT APPROXIMATION; CORRELATED MOLECULAR CALCULATIONS; MAIN-GROUP THERMOCHEMISTRY; GAUSSIAN-BASIS SETS; HARTREE-FOCK; CORRELATION-ENERGY; DENSITY FUNCTIONALS; IMPLEMENTATION; COULOMB; CHEMISTRY;