The DOI matches its Crossref record; 27 of the 27 references it cites were found in a registry or an index.
Higher-accuracy van der Waals density functional
Open accessAbstract
We propose a second version of the van der Waals density functional of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-$N$ asymptote gradient correction in determining the vdW kernel. The predicted binding energy, equilibrium separation, and potential-energy curve shape are close to those of accurate quantum chemical calculations on 22 duplexes. We anticipate the enabling of chemically accurate calculations in sparse materials of importance for condensed matter, surface, chemical, and biological physics.
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Cites
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Van der Waals Density Functional for General Geometries
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Self-citationPerdew, J. P., & Yue, W. (1986) · Physical Review B · doi:10.1103/physrevb.33.8800 · Cited by 4,316
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Klimeš, J., Bowler, D. R., & Michaelides, A. (2010) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/22/2/022201 · Cited by 3,587
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Cited by
Advanced capabilities for materials modelling with Q uantum ESPRESSO
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., et al. (2017) · Journal of Physics: Condensed Matter · doi:10.1088/1361-648x/aa8f79 · Cited by 8,361
Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. Z. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00470a · Cited by 5,388
Van der Waals density functionals applied to solids
Klimeš, J., Bowler, D. R., & Michaelides, A. (2011) · Physical Review B · doi:10.1103/physrevb.83.195131 · Cited by 4,624
Density functional theory with London dispersion corrections
Grimme, S. (2011) · WIREs Computational Molecular Science · doi:10.1002/wcms.30 · Cited by 2,829
Mardirossian, N., & Head-Gordon, M. (2017) · Molecular Physics · doi:10.1080/00268976.2017.1333644 · Cited by 2,307
Metadata
- Authors
- Lee, K., Murray, É. D., Kong, L., Lundqvist, B. I., & Langreth, D. C.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2010-08-04
- Volume
- 82
- Issue
- 8
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W1988320534
- Cited by
- 2,755
- References
- 27
- FWCI
- 53.08
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Lee, K., Murray, É. D., Kong, L., Lundqvist, B. I., & Langreth, D. C. (2010). Higher-accuracy van der Waals density functional. Physical Review B. https://doi.org/10.1103/physrevb.82.081101
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
