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Constraint Satisfaction in Local and Gradient Susceptibility Approximations: Application to a van der Waals Density Functional
Abstract
We show how charge conservation and reciprocity can be built into local density or gradient approximations for density-density response functions (susceptibilities). We apply these ideas to derive from first principles a variant of the Rapcewicz-Ashcroft formula for the van der Waals interaction. We also discuss how improved formulas may be obtained.
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Citations
Cited by
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
Chai, J.-D., & Head-Gordon, M. (2008) · Physical Chemistry Chemical Physics · doi:10.1039/b810189b · Cited by 14,648
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
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
Dispersion-Corrected Mean-Field Electronic Structure Methods
Grimme, S., Hansen, A., Brandenburg, J. G., & Bannwarth, C. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00533 · Cited by 1,621
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
Thonhauser, T., Cooper, V. R., Li, S., Puzder, A., Hyldgaard, P., & Langreth, D. C. (2007) · Physical Review B · doi:10.1103/physrevb.76.125112 · Cited by 1,235
Metadata
- Authors
- Dobson, J. F., & Dinte, B. P.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1996-03-11
- Volume
- 76
- Issue
- 11
- Pages
- 1780-1783
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1986705394
- Cited by
- 195
- References
- 0
- FWCI
- 6.72
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Constraint Satisfaction in Local and Gradient Susceptibility Approximations: Application to a van der Waals Density Functional. https://app.cochat.ai/papers/10.1103/physrevlett.76.1780
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- Dobson, J. F., & Dinte, B. P. (1996). Constraint Satisfaction in Local and Gradient Susceptibility Approximations: Application to a van der Waals Density Functional. Physical Review Letters. https://doi.org/10.1103/physrevlett.76.1780
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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.
