PBEh-3c: A popular new composite method

Density functional theory, Chemical bonds, Molecular structure, Basis sets, Crystal structureOur article “Consistent structures and interactions by density functional theory with small basis sets for large molecules” is among the most read papers of J. Chem. Phys. in 2015.  We have implemented the PBEh-3c composite method in the current version of TURBOMOLE7.2 and it wil be in the upcoming releases of ORCA and CRYSTAL.

PBEh-3c: A popular new composite method