The DOI matches its Crossref record.
Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure
Abstract
A self-consistent real-space multiple-scattering (RSMS) approach for calculations of x-ray-absorption near-edge structure (XANES) is presented and implemented in an ab initio code applicable to arbitrary aperiodic or periodic systems. This approach yields a quantitative interpretation of XANES based on simultaneous, self-consistent-field (SCF) calculations of local electronic structure and x-ray absorption spectra, which include full multiple scattering from atoms within a small cluster and the contributions of high-order MS from scatterers outside that cluster. In addition, the code includes a SCF estimate of the Fermi energy and an account of orbital occupancy and charge transfer. We also present a qualitative, scattering-theoretic interpretation of XANES. Sample applications are presented for cubic BN, ${\mathrm{UF}}_{6},$ Pu hydrates, and distorted ${\mathrm{PbTiO}}_{3}.$ Limitations and various extensions are also discussed.
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
Cited by
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
Atomic-level structure and structure–property relationship in metallic glasses
Cheng, Y. Q., & Ma, E. (2011) · Progress in Materials Science · doi:10.1016/j.pmatsci.2010.12.002 · Cited by 1,771
Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction
Li, M., Zhao, Z., Cheng, T., Fortunelli, A., Chen, C.-Y., Yu, R., Zhang, Q., Gu, L., Merinov, B. V., Lin, Z., et al. (2016) · Science · doi:10.1126/science.aaf9050 · Cited by 1,605
Understanding the phase-change mechanism of rewritable optical media
Kolobov, A. V., Fons, P., Frenkel, A. I., Ankudinov, A. L., Tominaga, J., & Uruga, T. (2004) · Nature Materials · doi:10.1038/nmat1215 · Cited by 1,313
Self-citationLiu, D., Li, X., Chen, S., Yan, H., Wang, C., Wu, C., Haleem, Y. A., Duan, S., Lu, J., Ge, B., et al. (2019) · Nature Energy · doi:10.1038/s41560-019-0402-6 · Cited by 1,166
Metadata
- Authors
- Ankudinov, A. L., Ravel, B., Rehr, J. J., & Conradson, S. D.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1998-09-15
- Volume
- 58
- Issue
- 12
- Pages
- 7565-7576
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2018222553
- Cited by
- 4,357
- References
- 0
- FWCI
- 45.79
- 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: Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure. https://app.cochat.ai/papers/10.1103/physrevb.58.7565
- The paper
- Ankudinov, A. L., Ravel, B., Rehr, J. J., & Conradson, S. D. (1998). Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure. Physical Review B. https://doi.org/10.1103/physrevb.58.7565
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.
