Correcting the Charge Delocalization Error of Density Functional Theory-Reference-Cited by-同舟云学术

Correcting the Charge Delocalization Error of Density Functional Theory

Published:2021-07-23 Issue:8 Volume:17 Page:4633-4638
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Proynov Emil¹,Kong Jing¹^ORCID

Affiliation:

1. Department of Chemistry and Center for Computational Sciences, Middle Tennessee State University, 1301 Main Street, Murfreesboro, Tennessee 37130, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00197

Reference35 articles.

1. A real-space model of nondynamical correlation

2. Real-space post-Hartree–Fock correlation models

3. Density functionals for static, dynamical, and strong correlation

4. Communication: Calibration of a strong-correlation density functional on transition-metal atoms

5. Density Functional Model for Nondynamic and Strong Correlation

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