How Accurate Are Approximate Density Functionals for Noncovalent Interaction of Very Large Molecular Systems?-Reference-Cited by-同舟云学术

How Accurate Are Approximate Density Functionals for Noncovalent Interaction of Very Large Molecular Systems?

Published:2021-06-17 Issue:7 Volume:17 Page:3967-3973
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wu Dihua¹^ORCID,Truhlar Donald G.¹^ORCID

Affiliation:

1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00162

Reference43 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Dispersion Forces: Neither Fluctuating Nor Dispersing

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

4. Revised M06 density functional for main-group and transition-metal chemistry

5. Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties

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