August 15, 1998 article A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons The Journal of Chemical Physics DOI: 10.1063/1.476859 OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 598 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access O2 Dissociation on Cu(111) Dynamics on a Novel Screened Hybrid van der Waals DFT Potential Energy Surface 2024 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access 3 citations SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces 2022 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 39 citations Computational approaches to dissociative chemisorption on metals: towards chemical accuracy 2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 96 citations Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not 2020 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access 86 citations Quantum Monte Carlo calculations on dissociative chemisorption of H2 + Al(110): Minimum barrier heights and their comparison to DFT values 2020 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 26 citations 5 results References 0