The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Direct calculation of electron density in density-functional theory
Abstract
A new approach for the study of ground states of many-electron systems is developed via direct calculation of the density in density-functional theory. Not using the Kohn-Sham equations, the method divides a system into subsystems in physical space and determines the density for each subsystem. The method is demonstrated with calculations for the nitrogen molecule, which is divided into two atomic subsystems. We expect this approach to enable calcultions for large molecules beyond the reach of conventional methods.
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
Cited by
Maximally localized Wannier functions: Theory and applications
Marzari, N., Mostofi, A. A., Yates, J. R., Souza, I., & Vanderbilt, D. (2012) · Reviews of Modern Physics · doi:10.1103/revmodphys.84.1419 · Cited by 3,283
Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method
Fedorov, D. G., & Kitaura, K. (2007) · The Journal of Physical Chemistry A · doi:10.1021/jp0716740 · Cited by 567
Nearsightedness of electronic matter
Prodan, E., & Kohn, W. (2005) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0505436102 · Cited by 551
Physics-Inspired Structural Representations for Molecules and Materials
Musil, F., Grisafi, A., Bartók, A. P., Ortner, C., Csányi, G., & Ceriotti, M. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00021 · Cited by 523
Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics
Kühne, T. D., Krack, M., Mohamed, F. R., & Parrinello, M. (2007) · Physical Review Letters · doi:10.1103/physrevlett.98.066401 · Cited by 462
Metadata
- Authors
- Yang, W.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1991-03-18
- Volume
- 66
- Issue
- 11
- Pages
- 1438-1441
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W1964357583
- Cited by
- 1,053
- References
- 1
- FWCI
- 7.77
- 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: Direct calculation of electron density in density-functional theory. https://app.cochat.ai/papers/10.1103/physrevlett.66.1438
- The paper
- Yang, W. (1991). Direct calculation of electron density in density-functional theory. Physical Review Letters. https://doi.org/10.1103/physrevlett.66.1438
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.
