MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
Author:
Affiliation:
1. Department of Chemistry
2. Chemical Theory Center
3. Inorganometallic Catalyst Design Center
4. Minnesota Supercomputing Institute
5. University of Minnesota
Abstract
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.
Funder
U.S. Department of Energy
University of Minnesota
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/SC/C6SC00705H
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