The DOI matches its Crossref record; 28 of the 28 references it cites were found in a registry or an index.
Van der Waals density functional theory with applications
Abstract
The details of a density functional that includes van der Waals (vdW) interactions are presented. In particular we give some key steps of the transition from a form for fully planar systems to a procedure for realistic layered compounds that have planar symmetry only on large‐distance scales, and which have strong covalent bonds within the layers. It is shown that the random‐phase approximation of that original functional can be replaced by an approximation that is exact at large separation between vdW interacting fragments and seamless as the fragments merge. An approximation to the latter which renders the functional easily applicable and which preserves useful accuracy in both limits and in between is given. We report additional data from applications to forms of graphite, boron nitride, and molybdenum sulfide not reported in our previous communication. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
Vanderbilt, D. (1990) · Physical Review B · doi:10.1103/physrevb.41.7892 · Cited by 23,185
Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R., Singh, D. J., & Fiolhais, C. (1992) · Physical Review B · doi:10.1103/physrevb.46.6671 · Cited by 22,269
Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R., Singh, D. J., & Fiolhais, C. (1993) · Physical Review B · doi:10.1103/physrevb.48.4978.2 · Cited by 17,144
Hammer, B., Hansen, L. B., & Nørskov, J. K. (1999) · Physical Review B · doi:10.1103/physrevb.59.7413 · Cited by 8,270
Van der Waals Density Functional for General Geometries
Dion, M., Rydberg, H., Schröder, E., Langreth, D. C., & Lundqvist, B. I. (2004) · Physical Review Letters · doi:10.1103/physrevlett.92.246401 · Cited by 5,622
Self-citationExchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
Gunnarsson, O., & Lundqvist, B. I. (1976) · Physical Review B · doi:10.1103/physrevb.13.4274 · Cited by 3,665
Self-citationComment on “Generalized Gradient Approximation Made Simple”
Zhang, Y., & Yang, W. (1998) · Physical Review Letters · doi:10.1103/physrevlett.80.890 · Cited by 2,934
Correlation Energy of an Electron Gas at High Density
Gell-Mann, M., & Brueckner, K. A. (1957) · Physical Review · doi:10.1103/physrev.106.364 · Cited by 1,457
Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials
Laasonen, K., Pasquarello, A., Car, R., Lee, C., & Vanderbilt, D. (1993) · Physical Review B · doi:10.1103/physrevb.47.10142 · Cited by 1,439
Cited by
Grimme, S., Antony, J., Ehrlich, S., & Krieg, H. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3382344 · Cited by 59,686
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
Brunk, E., & Rothlisberger, U. (2015) · Chemical Reviews · doi:10.1021/cr500628b · Cited by 494
Chakarova-Käck, S. D., Schröder, E., Lundqvist, B. I., & Langreth, D. C. (2006) · Physical Review Letters · doi:10.1103/physrevlett.96.146107 · Cited by 414
Self-citationAdsorption of Aromatic and Anti-Aromatic Systems on Graphene through π−π Stacking
Björk, J., Hanke, F., Palma, C.-A., Samori, P., Cecchini, M., & Persson, M. (2010) · The Journal of Physical Chemistry Letters · doi:10.1021/jz101360k · Cited by 409
Metadata
- Authors
- Langreth, D. C., Dion, M., Rydberg, H., Schröder, E., Hyldgaard, P., & Lundqvist, B. I.
- Venue
- International Journal of Quantum Chemistry
- Publisher
- Wiley
- Published
- 2004-10-22
- Volume
- 101
- Issue
- 5
- Pages
- 599-610
- ISSN
- 0020-7608 (ISSN-L)
- 1097-461X
- OpenAlex
- W1973590575
- Cited by
- 340
- References
- 28
- FWCI
- 9.01
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Van der Waals density functional theory with applications. https://app.cochat.ai/papers/10.1002/qua.20315
- The paper
- Langreth, D. C., Dion, M., Rydberg, H., Schröder, E., Hyldgaard, P., & Lundqvist, B. I. (2005). Van der Waals density functional theory with applications. International Journal of Quantum Chemistry. https://doi.org/10.1002/qua.20315
Data sources
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.
