Delocalization error: The greatest outstanding challenge in density‐functional theory-Reference-Cited by-同舟云学术

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Delocalization error: The greatest outstanding challenge in density‐functional theory

Published:2022-07 Issue:2 Volume:13 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Bryenton Kyle R.¹^ORCID,Adeleke Adebayo A.²^ORCID,Dale Stephen G.³^ORCID,Johnson Erin R.¹²^ORCID

Affiliation:

1. Department of Physics and Atmospheric Science Dalhousie University Halifax Nova Scotia Canada

2. Department of Chemistry Dalhousie University Halifax Nova Scotia Canada

3. Queensland Micro‐ and Nanotechnology Centre Griffith University Nathan Queensland Australia

Funder

Killam Trusts

Natural Sciences and Engineering Research Council of Canada

Australian Research Council

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1631

Reference311 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. The top 100 papers

3. On the calculation of multiplet energies by the hartree-fock-slater method

4. A real-space model of nondynamical correlation

5. Fractional spins and static correlation error in density functional theory

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