Semi-empirical or non-empirical double-hybrid density functionals: which are more robust?
Nisha Mehta, Marcos Casanova-Paez, Lars Goerigk
Physical Chemistry Chemical Physics | ROYAL SOC CHEMISTRY | Published : 2018
Awarded by Melbourne Bioinformatics
N. M. acknowledges a 'Melbourne International Engagement Award (MIEA)' offered through the Melbourne India Postgraduate Program. N. M. and M. C.-P. also acknowledge a 'Melbourne Research Scholarship'. L. G. gratefully acknowledges generous resource allocations from Melbourne Bioinformatics (Project RA0005) and the National Computational Infrastructure (NCI) National Facility within the National Computational Merit Allocation Scheme (Project fk5). The authors would like to thank Ms Angy Casanova for designing the TOC graphic and Mr Pawan Kr. Patel for technical assistance.