An improved and broadly accurate local approximation to the exchange–correlation density functional: The MN12-L functional for electronic structure calculations in chemistry and physics - Peverati, Roberto; Truhlar, Donald G. (Physical chemistry chemical physics : PCCP, 2012)
Keywords: Approximation; Chemistry; Density; Exact sciences and technology; Exchange; General and physical chemistry; Ion exchangers; Isomerization; Lattice parameters; Mathematical analysis; Transition metals; Potential barrier; Correlation energy; Isomerization; Transition metal; Lattice parameters; Solid state; Chemistry; Electronic structure; Density functional; Exchange interaction; Ionization potential; Calculation; Atomization; Cohesive energy; Interaction energy