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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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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