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Full-potential multiple scattering for x-ray spectroscopies
- Source :
- Physical Review B. 76
- Publication Year :
- 2007
- Publisher :
- American Physical Society (APS), 2007.
-
Abstract
- We present a Full Potential Multiple Scattering (FP-MS) scheme for the interpretation of several X-ray spectroscopies that is a straightforward generalization of the more conventional Muffin-Tin (MT) version. Like this latter, it preserves the intuitive description of the physical process under consideration and overcomes some of the limitations of the existing FP-MS codes. It hinges on a fast and efficient method for solving the single cell scattering problem that avoids the convergence drawbacks of the angular momentum (AM) expansion of the cell shape function and relies on an alternative derivation of the multiple scattering equations (MSE) that allows us to work reliably with only one truncation parameter, {\it i.e.} the number of local basis functions in the expansion of the global scattering function determined by the classical relation $l_{\rm max} \sim k R$.<br />Comment: 4 pages 2 figures
- Subjects :
- Physics
Condensed Matter - Materials Science
Angular momentum
Scattering
Generalization
Truncation
Mathematical analysis
Materials Science (cond-mat.mtrl-sci)
FOS: Physical sciences
Basis function
Function (mathematics)
Condensed Matter Physics
Electronic, Optical and Magnetic Materials
Convergence (routing)
Absorption (logic)
Atomic physics
Subjects
Details
- ISSN :
- 1550235X and 10980121
- Volume :
- 76
- Database :
- OpenAIRE
- Journal :
- Physical Review B
- Accession number :
- edsair.doi.dedup.....726c9f6c0c6356915b6f3f5ee43cca9a
- Full Text :
- https://doi.org/10.1103/physrevb.76.060102