M11pz: A Nonlocal Meta Functional with Zero Hartree–Fock Exchange and with Broad Accuracy for Chemical Energies and Structures-Reference-Cited by-同舟云学术

M11pz: A Nonlocal Meta Functional with Zero Hartree–Fock Exchange and with Broad Accuracy for Chemical Energies and Structures

Published:2023-12-14 Issue:24 Volume:19 Page:9102-9117
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kanchanakungwankul Siriluk¹^ORCID,Verma Pragya¹^ORCID,Janesko Benjamin G.²^ORCID,Scalmani Giovanni³^ORCID,Frisch Michael J.³,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

2. Department of Chemistry and Biochemistry, Texas Christian University, Fort Worth, Texas 76110, United States

3. Gaussian, Inc., Wallingford, Connecticut 06492, United States

Funder

Air Force Office of Scientific Research

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01315

Reference76 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

3. Status and Challenges of Density Functional Theory

4. Electron correlation and the self-interaction error of density functional theory

5. The self-interaction error and the description of non-dynamic electron correlation in density functional theory

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