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High-order multiple-scattering calculations of x-ray-absorption fine structure
Abstract
High-order scattering is found to be essential for the convergence of the multiple-scattering (MS) theory of x-ray-absorption fine structure, both in the near-edge and the extended regimes. These contributions are calculated using an ab initio curved-wave scattering-matrix formalism. Convergence to full MS accuracy is demonstrated for fcc Cu, as well as for molecular ${\mathrm{O}}_{2}$ and ${\mathrm{N}}_{2}$, where our approach provides a high-order MS interpretation of the ${\mathrm{\ensuremath{\sigma}}}^{\mathrm{*}}$ shape resonances.
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Cited by
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X-ray Absorption Spectroscopy of Low Temperature Fuel Cell Catalysts
Russell, A. E., & Rose, A. (2004) · Chemical Reviews · doi:10.1021/cr020708r · Cited by 303
Reeder, R. J., Lamble, G. M., & Northrup, P. A. (1999) · American Mineralogist · doi:10.2138/am-1999-7-807 · Cited by 185
Wildung, R. E., Gorby, Y. A., Krupka, K. M., Hess, N. J., Li, S. W., Plymale, A. E., McKinley, J. P., & Fredrickson, J. K. (2000) · Applied and Environmental Microbiology · doi:10.1128/aem.66.6.2451-2460.2000 · Cited by 184
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Metadata
- Authors
- Rehr, J. J., Albers, R. C., & Zabinsky, S. I.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1992-12-07
- Volume
- 69
- Issue
- 23
- Pages
- 3397-3400
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W2085475154
- Cited by
- 1,133
- References
- 0
- FWCI
- 35.08
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: High-order multiple-scattering calculations of x-ray-absorption fine structure. https://app.cochat.ai/papers/10.1103/physrevlett.69.3397
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- Rehr, J. J., Albers, R. C., & Zabinsky, S. I. (1992). High-order multiple-scattering calculations of x-ray-absorption fine structure. Physical Review Letters. https://doi.org/10.1103/physrevlett.69.3397
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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.
