Communication: Two types of flat-planes conditions in density functional theory-Reference-Cited by-同舟云学术

Communication: Two types of flat-planes conditions in density functional theory

Published:2016-07-21 Issue:3 Volume:145 Page:031102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Yang Xiaotian Derrick¹,Patel Anand H. G.¹,Miranda-Quintana Ramón Alain¹²^ORCID,Heidar-Zadeh Farnaz¹³⁴,González-Espinoza Cristina E.¹,Ayers Paul W.¹^ORCID

Affiliation:

1. Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario LBS 4M1, Canada

2. Laboratory of Computational and Theoretical Chemistry, Faculty of Chemistry, University of Havana, Havana, Cuba

3. Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Gent, Belgium

4. Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium

Funder

Natural Sciences and Engineering Research Council of Canada (NSERC)

Fonds Wetenschappelijk Onderzoek (FWO)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4958636

Reference27 articles.

1. Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits

2. Challenges for Density Functional Theory

3. Insights into Current Limitations of Density Functional Theory

4. On degeneracy, near-degeneracy and density functional theory

5. Many-electron self-interaction error in approximate density functionals

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