MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
نویسندگان
چکیده
Department of Chemistry, Chemical Theory Center, Minnesota Supercomputing Institut Minnesota 55455-0431, USA. E-mail: truhla State Key Laboratory of Precision Spectrosco Normal University, Shanghai, 200062, Chin NYU-ECNU Center for Computational C 200062, China † Electronic supplementary information ( Database 2015B for 84 functionals and g SBG31, and EE69. See DOI: 10.1039/c6sc0 Cite this: Chem. Sci., 2016, 7, 5032
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تاریخ انتشار 2016