Unmasking Static Correlation Error in Hybrid Kohn–Sham Density Functional Theory-Reference-Cited by-同舟云学术

Unmasking Static Correlation Error in Hybrid Kohn–Sham Density Functional Theory

Published:2020-07-21 Issue:9 Volume:16 Page:5432-5440
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhang Dayou¹^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.0c00585

Reference73 articles.

1. A new mixing of Hartree–Fock and local density‐functional theories

2. Hybrid Hartree—Fock Density-Functional Theory Functionals: The Adiabatic Connection Method

3. Density Functionals for Inorganometallic and Organometallic Chemistry

4. Perspective: Kohn-Sham density functional theory descending a staircase

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

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