The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
van der Waals Energies in Density Functional Theory
Open accessAbstract
In principle, density functional theory yields the correct ground-state densities and energies of electronic systems under the action of a static external potential. However, traditional approximations fail to include van der Waals energies between separated systems. This paper proposes a practical procedure for remedying this difficulty. Our method allows seamless calculations between small and large intersystem distances. The asymptotic H-He and He--He interactions are calculated as a first illustration, with very accurate results.
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Citations
Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Self-citation
Cited by
A Chemist's Guide to Density Functional Theory
Koch, W., & Holthausen, M. C. (2001) · Wiley eBooks · doi:10.1002/3527600043 · Cited by 4,880
Higher-accuracy van der Waals density functional
Lee, K., Murray, É. D., Kong, L., Lundqvist, B. I., & Langreth, D. C. (2010) · Physical Review B · doi:10.1103/physrevb.82.081101 · Cited by 2,755
Mounet, N., & Marzari, N. (2005) · Physical Review B · doi:10.1103/physrevb.71.205214 · Cited by 1,153
Riley, K. E., Pitoňák, M., Jurečka, P., & Hobza, P. (2010) · Chemical Reviews · doi:10.1021/cr1000173 · Cited by 759
Jurečka, P., Černý, J., Hobza, P., & Salahub, D. R. (2007) · Journal of Computational Chemistry · doi:10.1002/jcc.20570 · Cited by 648
Metadata
- Authors
- Kohn, W., Meir, Y., & Makarov, D. E.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1998-05-11
- Volume
- 80
- Issue
- 19
- Pages
- 4153-4156
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2006934103
- Cited by
- 504
- References
- 1
- FWCI
- 10.79
- Type
- journal article
- Language
- en
- Open access
- green
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- Kohn, W., Meir, Y., & Makarov, D. E. (1998). van der Waals Energies in Density Functional Theory. Physical Review Letters. https://doi.org/10.1103/physrevlett.80.4153
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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.
