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C..69 XC-M05-2X: M05-2X Meta-GGA Exchange-Correlation Functional

Here it means M05-2X exchange-correlation part which excludes HF exact exchange term. Y. Zhao, N. E. Schultz, and D. G. Truhlar, J. Chem. Theory Comput. 2, 364 (2006).



molpro@molpro.net 2018-06-19