The Nonlocal Kernel in van der Waals Density Functionals as an Additive Correction: An Extensive Analysis with Special Emphasis on the B97M-V and omega B97M-V Approaches

Grants

Funding Acknowledgements

The authors thank Dr. Narbe Mardirossian for helpful discussions regarding the implementation of the B97M-V type of functionals and Mr. Marcos Casanova-Pez for technical assistance with maintaining our local version of ORCA. We are grateful for computing time provided by Melbourne Bioinformatics (project ID: RA0005) and by the National Computational Infrastructure (NCI) National Facility within the National Computational Merit Allocation Scheme (project ID: fk5). A.N. acknowledges a Melbourne Research Scholarship and an Australian Research Training Program Scholarship.