Our new composite electronic structure methods is published and has been selected as JCP editor’s pick: J. Chem. Phys. 2018, 148, 064104. B97-3c combines a well-established density functional evaluated in compact orbital expansions with correction potentials yielding excellent molecular and
Our article “Consistent structures and interactions by density functional theory with small atomic orbital basis sets” by Stefan Grimme, Gerit Brandenburg, Christoph Bannwarth, and Andreas Hansen has been identified by Computational Chemistry Highlights as important recent paper in computational and theoretical
Our 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
