The DOI matches its Crossref record; 60 of the 60 references it cites were found in a registry or an index.
Hubbard parameters from density-functional perturbation theory
Open accessAbstract
We present a transparent and computationally efficient approach for the first-principles calculation of Hubbard parameters from linear-response theory. This approach is based on density-functional perturbation theory and the use of monochromatic perturbations. In addition to delivering much improved efficiency, the present approach makes it straightforward to calculate automatically these Hubbard parameters for any given system, with tight numerical control on convergence and precision. The effectiveness of the method is showcased in three case studies---${\mathrm{Cu}}_{2}\mathrm{O}$, NiO, and ${\mathrm{LiCoO}}_{2}$---and by the direct comparison with finite differences in supercell calculations.
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
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
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
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,281
Self-citationSoft self-consistent pseudopotentials in a generalized eigenvalue formalism
Vanderbilt, D. (1990) · Physical Review B · doi:10.1103/physrevb.41.7892 · Cited by 23,185
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
Dudarev, S. L., Botton, G. A., Savrasov, S. Y., Humphreys, C. J., & Sutton, A. P. (1998) · Physical Review B · doi:10.1103/physrevb.57.1505 · Cited by 15,173
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., Zhou, X., & Burke, K. (2008) · Physical Review Letters · doi:10.1103/physrevlett.100.136406 · Cited by 11,970
Phonons and related crystal properties from density-functional perturbation theory
Baroni, S., de Gironcoli, S., Dal Corso, A., & Giannozzi, P. (2001) · Reviews of Modern Physics · doi:10.1103/revmodphys.73.515 · Cited by 10,043
Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A., & Joannopoulos, J. D. (1992) · Reviews of Modern Physics · doi:10.1103/revmodphys.64.1045 · Cited by 9,728
Density-Functional Theory for Time-Dependent Systems
Runge, E., & Gross, E. K. U. (1984) · Physical Review Letters · doi:10.1103/physrevlett.52.997 · Cited by 8,914
Cited by
Improving the HER Activity and Stability of Pt Nanoparticles by Titanium Oxynitride Support
Smiljanić, M., Panić, S., Bele, M., Ruiz-Zepeda, F., Pavko, L., Gašparič, L., Kokalj, A., Gaberšček, M., & Hodnik, N. (2022) · ACS Catalysis · doi:10.1021/acscatal.2c03214 · Cited by 203
Smiljanić, M., Bele, M., Pavko, L., Hrnjić, A., Ruiz-Zepeda, F., Bijelić, L., Kamšek, A. R., Nuhanović, M., Marsel, A., Gašparič, L., et al. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.164204 · Cited by 18
Metadata
- Authors
- Timrov, I., Marzari, N., & Cococcioni, M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2018-08-16
- Volume
- 98
- Issue
- 8
- ISSN
- 2469-9950 (ISSN-L)
- 2469-9969
- OpenAlex
- W2886841984
- Cited by
- 361
- References
- 60
- FWCI
- 8.65
- Type
- journal article
- Language
- en
- Open access
- green
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: Hubbard parameters from density-functional perturbation theory. https://app.cochat.ai/papers/10.1103/physrevb.98.085127
- The paper
- Timrov, I., Marzari, N., & Cococcioni, M. (2018). Hubbard parameters from density-functional perturbation theory. Physical Review B. https://doi.org/10.1103/physrevb.98.085127
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.
