C..68 XC-M05: M05 Meta-GGA Exchange-Correlation Functional

Here it means M05 exchange-correlation part which excludes HF exact exchange term. Y. Zhao, N. E. Schultz, and D. G. Truhlar, J. Chem. Phys. 123, 161103 (2005).



molpro@molpro.net 2018-10-21