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A rapid, exact curved-wave theory for EXAFS calculations
Abstract
A simplified version of the exact curved-wave theory of EXAFS is described. The simplifications arise from the angle-averaging process which is necessary when analysing data from polycrystalline or amorphous samples. Such an angle-averaging process is here performed analytically, resulting in a much simpler theoretical expression for the EXAFS function, but one which still treats the outgoing spherical wave exactly. Test runs show that such a theory is about a factor of forty faster in computation time than the original form of the curved-wave theory. Such rapid computation allows the authors routinely to use the curved-wave theory in structural analyses, rather than the plane-wave approximation which is limited to high photoelectron energies.
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Citations
Cited by
Mechanism of molybdenum removal from the sea and its concentration in black shales: EXAFS evidence
Helz, G. R., Miller, C. V., Charnock, J. M., Mosselmans, J. F. W., Pattrick, R. A. D., Garner, C. D., & Vaughan, D. J. (1996) · Geochimica et Cosmochimica Acta · doi:10.1016/0016-7037(96)00195-0 · Cited by 921
The UWXAFS analysis package: philosophy and details
Stern, E. A., Newville, M., Ravel, B., Yacoby, Y., & Haskel, D. (1995) · Physica B: Condensed Matter · doi:10.1016/0921-4526(94)00826-h · Cited by 758
Iodide accumulation provides kelp with an inorganic antioxidant impacting atmospheric chemistry
Küpper, F. C., Carpenter, L. J., McFiggans, G. B., Palmer, C. J., Waite, T. J., Boneberg, E.-M., Woitsch, S., Weiller, M., Abela, R., Grolimund, D., et al. (2008) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0709959105 · Cited by 371
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
Corker, J., Lefebvre, F., Lécuyer, C., Dufaud, V., Quignard, F., Choplin, A., Evans, J., & Basset, J.-M. (1996) · Science · doi:10.1126/science.271.5251.966 · Cited by 259
Metadata
- Authors
- Gurman, S. J., Binsted, N., & Ross, I.
- Venue
- Journal of Physics C: Solid State Physics
- Publisher
- IOP Publishing
- Published
- 1984-01-10
- Volume
- 17
- Issue
- 1
- Pages
- 143-151
- ISSN
- 0022-3719 (ISSN-L)
- OpenAlex
- W2060373561
- Cited by
- 653
- References
- 0
- FWCI
- 16.87
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: A rapid, exact curved-wave theory for EXAFS calculations. https://app.cochat.ai/papers/10.1088/0022-3719/17/1/019
- The paper
- Gurman, S. J., Binsted, N., & Ross, I. (1984). A rapid, exact curved-wave theory for EXAFS calculations. Journal of Physics C: Solid State Physics. https://doi.org/10.1088/0022-3719/17/1/019
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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.
