MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions-Reference-Cited by-同舟云学术

MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions

Published:2016 Issue:8 Volume:7 Page:5032-5051
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Yu Haoyu S.¹²³⁴⁵^ORCID,He Xiao¹²³⁴⁵^ORCID,Li Shaohong L.¹²³⁴⁵^ORCID,Truhlar Donald G.¹²³⁴⁵^ORCID

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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