The DOI matches its Crossref record; 13 of the 13 references it cites were found in a registry or an index.
Modified Broyden’s method for accelerating convergence in self-consistent calculations
Abstract
A modification to Broyden's method for obtaining stable and computationally efficient convergence in self-consistent calculations is developed and discussed. The method incorporates the advantages of two schemes proposed by Srivastava and by Vanderbilt and Louie without any increase in complexity. Its improvement over their methods is discussed. The present method is compared with two other widely used convergence methods, simple mixing and Anderson's method, for the case of the disordered binary alloy ${\mathrm{Ni}}_{0.35}$${\mathrm{Fe}}_{0.65}$ on the verge of a magnetic instability and is shown to be much improved in stability and rate of convergence.
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
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
Unified Approach for Molecular Dynamics and Density-Functional Theory
Car, R., & Parrinello, M. (1985) · Physical Review Letters · doi:10.1103/physrevlett.55.2471 · Cited by 10,754
Powell, M. J. D. (1964) · The Computer Journal · doi:10.1093/comjnl/7.2.155 · Cited by 4,632
A class of methods for solving nonlinear simultaneous equations
Broyden, C. G. (1965) · Mathematics of Computation · doi:10.1090/s0025-5718-1965-0198670-6 · Cited by 2,788
Convergence acceleration of iterative sequences. the case of scf iteration
Pulay, P. (1980) · Chemical Physics Letters · doi:10.1016/0009-2614(80)80396-4 · Cited by 2,612
Iterative Procedures for Nonlinear Integral Equations
Anderson, D. G. (1965) · Journal of the ACM · doi:10.1145/321296.321305 · Cited by 979
Semiconductor Charge Densities with Hard-Core and Soft-Core Pseudopotentials
Hamann, D. R. (1979) · Physical Review Letters · doi:10.1103/physrevlett.42.662 · Cited by 346
Vanderbilt, D., & Louie, S. G. (1984) · Physical Review B · doi:10.1103/physrevb.30.6118 · Cited by 320
Johnson, D. D., Nicholson, D. M., Pinski, F. J., Gyorffy, B. L., & Stocks, G. M. (1986) · Physical Review Letters · doi:10.1103/physrevlett.56.2088 · Cited by 249
Self-citation
Cited by
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
Valenzano, L., Civalleri, B., Chavan, S., Bordiga, S., Nilsen, M. H., Jakobsen, S., Lillerud, K. P., & Lamberti, C. (2011) · Chemistry of Materials · doi:10.1021/cm1022882 · Cited by 1,919
Pseudopotential methods in condensed matter applications
Pickett, W. E. (1989) · Computer Physics Reports · doi:10.1016/0167-7977(89)90002-6 · Cited by 915
octopus:a tool for the application of time‐dependent density functional theory
Castro, A., Appel, H., Oliveira, M., Rozzi, C. A., Andrade, X., Lorenzen, F., Marques, M. A. L., Gross, E. K. U., & Rubio, A. (2006) · physica status solidi (b) · doi:10.1002/pssb.200642067 · Cited by 894
Barnett, R. N., & Landman, U. (1993) · Physical Review B · doi:10.1103/physrevb.48.2081 · Cited by 629
Metadata
- Authors
- Johnson, D. D.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1988-12-15
- Volume
- 38
- Issue
- 18
- Pages
- 12807-12813
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W2071750684
- Cited by
- 593
- References
- 13
- FWCI
- 2.69
- 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: Modified Broyden’s method for accelerating convergence in self-consistent calculations. https://app.cochat.ai/papers/10.1103/physrevb.38.12807
- The paper
- Johnson, D. D. (1988). Modified Broyden’s method for accelerating convergence in self-consistent calculations. Physical Review B. https://doi.org/10.1103/physrevb.38.12807
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.
