机译:How good are recent density functionals for ground and excited states of one-electron systems?
TU Bergakademie Freiberg;
Taiwan Semicond Mfg Co North Amer;
Mol Sci Software Inst;
GENERALIZED GRADIENT APPROXIMATION; SELF-INTERACTION CORRECTION; CONSISTENT BASIS-SETS; HARTREE-FOCK; NONCOVALENT INTERACTIONS; THERMOCHEMICAL KINETICS; M06 SUITE; EXCHANGE; MOLECULES; ENERGY;