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Title Multiple scattering theory for spectroscopies : a guide to multiple scattering computer codes -- dedicated to C.R. Natoli on the occasion of his 75th birthday / Didier Sébilleau, Keisuke Hatada, Hubert Ebert, editors.

Published Cham, Switzerland : Springer, 2018.


Location Call No. Status
Physical description 1 online resource.
Series Springer proceedings in physics, 0930-8989 ; volume 204
Springer proceedings in physics ; v. 204.
Springer Physics and Astronomy eBooks 2018 English+International
Bibliography Includes bibliographical references and index.
Contents Intro; Foreword; Preface; Acknowledgements; Contents; Contributors; Acronyms; Spectroscopies; Methods; Codes; Part I Basic knowledge; 1 Introduction to (Multiple) Scattering Theory; 1.1 Introduction; 1.2 Elementary Scattering Theory; 1.2.1 The Asymptotical Behaviour of the Wave Function; 1.2.2 The Radial Equation for the Spherically Symmetric Problem; 1.2.3 Partial Wave Expansions; 1.2.4 The Scattering Amplitude; 1.2.5 Calculation of the Phase Shifts; 1.3 Formal Scattering Theory; 1.3.1 The Free Electron Propagator; 1.3.2 The Full Propagator; 1.3.3 The Transition Operator.
1.3.4 The Møller Wave Operator1.3.5 Use of Outgoing and Ingoing States; 1.3.6 Two-Potential Formula; 1.4 Multiple Scattering Theory; 1.4.1 The Translation Operator; 1.4.2 The Muffin-Tin Approximation; 1.4.3 The Transition Operator of the System; 1.4.4 Normalization Issues; 1.4.5 Computing the Scattering Path Operator; 1.5 Expression of the Cross-Sections; 1.5.1 General Expression; 1.5.2 Cross-Section for Some Spectroscopies; References; 2 Generating Phase-Shifts and Radial Integrals for Multiple Scattering Codes; 2.1 Introduction; 2.2 Derivation of the Cross-Section for Various Spectroscopies.
2.2.1 Cross Section for Incoming Photons2.2.2 Cross Section for Incoming Electrons; 2.3 Multiple Scattering Theory; 2.3.1 Expression of Cross Sections in MST; 2.3.2 The Green's Function Approach to Photoabsorption: Real Potential; 2.3.3 The Green's Function Approach to Photoabsorption: Complex Potential; 2.4 An All-Purpose Optical Potential; 2.4.1 The Construction of the Muffin-Tin Potential; 2.4.2 The Construction of the Exchange-Correlation Potential; 2.4.3 Generating Phase Shifts and Atomic Cross Sections; 2.4.4 Calculating EELS Matrix Elements; References.
3 Real Space Full Potential Multiple Scattering Theory3.1 Introduction; 3.2 Multiple Scattering Theory; 3.2.1 The Local Solutions; 3.2.2 The L-Convergence of Full Potential Multiple Scattering Theory; 3.2.3 Construction of the Green's Function in MST; 3.2.4 Spectroscopic Response Functions; 3.3 The Program; 3.3.1 Features and Capabilities; 3.3.2 Requirements; 3.4 MT Versus FP Calculations; 3.5 Future Perspectives; 3.5.1 Optimization; 3.5.2 Other Spectroscopies; References; 4 KKR Green's Function Method in Reciprocal and Real Space; 4.1 Introduction to the KKR Green's Function Method.
4.1.1 General Features4.1.2 Treatment of Disorder; 4.1.3 Many-Body Effects: LSDA+DMFT Within the KKR Formalism; 4.2 Applications of KKR-Green Function Formalism in the Spectroscopy; 4.2.1 X-ray Absorption: Formalism; 4.2.2 X-Ray Absorption and X-Ray Magnetic Circular Dichroism of Clusters; 4.2.3 Modeling the Structure of Glasses; 4.2.4 Interdiffusion at Interface: Interplay Between Electronic and Real Structure; 4.2.5 Doped Materials; 4.2.6 Angular Resolved Photoemission; References; 5 Multichannel Multiple Scattering Theory in R-Matrix Formalism; 5.1 Introduction.
Summary This edited book, based on material presented at the EU Spec Training School on Multiple Scattering Codes and the following MSNano Conference, is divided into two distinct parts. The first part, subtitled "basic knowledge", provides the basics of the multiple scattering description in spectroscopies, enabling readers to understand the physics behind the various multiple scattering codes available for modelling spectroscopies. The second part, "extended knowledge", presents "state- of-the-art" short chapters on specific subjects associated with improving of the actual description of spectroscopies within the multiple scattering formalism, such as inelastic processes, or precise examples of modelling.
Other author Natoli, C. R. (Calogero R.), honouree.
Sébilleau, Didier, 1959- editor.
Hatada, Keisuke, editor.
Ebert, Hubert, 1955- editor.
SpringerLink issuing body.
Subject Multiple scattering (Physics)
Spectrum analysis.
Electronic books.
Electronic book.
ISBN 9783319738116 (electronic bk.)
3319738119 (electronic bk.)
9783319738109 (print)
Standard Number 10.1007/978-3-319-73811-6