MN15 [electronic resource] : A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
- Washington, D.C. : United States. Dept. of Energy, 2016.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
- Physical Description:
- pages 5,032-5,051 : digital, PDF file
- Additional Creators:
- United States. Department of Energy and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
We report a global-hybrid approximation, MN15, to the exchange–correlation functional of Kohn–Sham theory with broadly accurate performance for both multi-reference and single-reference systems.
- Report Numbers:
- E 1.99:1436687
- Published through SciTech Connect.
Chemical Science 7 8 ISSN 2041-6520; CSHCBM AM
Haoyu S. Yu; Xiao He; Shaohong L. Li; Donald G. Truhlar.
Univ. of Minnesota, Minneapolis, MN (United States)
- Funding Information:
View MARC record | catkey: 24044170