Ebook: Multiple Scattering in Solids

The origins of multiple scattering theory (MST) can be traced back to Lord Rayleigh's publication of a paper treating the electrical resistivity of an ar­ ray of spheres, which appeared more than a century ago. At its most basic, MST provides a technique for solving a linear partial differential equa­ tion defined over a region of space by dividing space into nonoverlapping subregions, solving the differential equation for each of these subregions separately and then assembling these partial solutions into a global phys­ ical solution that is smooth and continuous over the entire region. This approach has given rise to a large and growing list of applications both in classical and quantum physics. Presently, the method is being applied to the study of membranes and colloids, to acoustics, to electromagnetics, and to the solution of the quantum-mechanical wave equation. It is with this latter application, in particular, with the solution of the SchrOdinger and the Dirac equations, that this book is primarily concerned. We will also demonstrate that it provides a convenient technique for solving the Poisson equation in solid materials. These differential equations are important in modern calculations of the electronic structure of solids. The application of MST to calculate the electronic structure of solid ma­ terials, which originated with Korringa's famous paper of 1947, provided an efficient technique for solving the one-electron Schrodinger equation.

---

This book describes general techniques for solving linear partial differential equations by dividing space into regions to which the equations are independently applied and then assembling a global solution from the partial ones. It is intended for researchers and graduate students involved in calculations of the electronic structure of materials, but will also be of interest to workers in quantum chemistry, electron microscopy, acoustics, optics, and other fields. Multiple scattering theory is, in essence, an extension of Huygens's principle to quantum mechanics. In classical physics, it was introduced by Rayleigh to study propagation of heat and electricity in inhomogeneous media. In quantum theory it has been used to study a number of different phenomena, including LEED spectra, defects in crystalline and disordered media, transport phenomena, photoemission spectroscopy, and electronic-structure calculations. The book begins with an intuitive approach to scattering theory and then turns to partial waves and a formal development of multiple scattering theory, with applications to the solid state (muffin-tin potentials and space-filling cells). The authors then present a variational derivation of the formalism and an augmented version of the theory. It concludes with a discussion of the relativistic formalism and a discussion of the Poisson equation. Appendices discuss Green's functions, spherical functions, Moller operators and the Lippmann-Schwinger equation, irregular solutions, and singularities in Green's functions.

---

This book describes general techniques for solving linear partial differential equations by dividing space into regions to which the equations are independently applied and then assembling a global solution from the partial ones. It is intended for researchers and graduate students involved in calculations of the electronic structure of materials, but will also be of interest to workers in quantum chemistry, electron microscopy, acoustics, optics, and other fields. Multiple scattering theory is, in essence, an extension of Huygens's principle to quantum mechanics. In classical physics, it was introduced by Rayleigh to study propagation of heat and electricity in inhomogeneous media. In quantum theory it has been used to study a number of different phenomena, including LEED spectra, defects in crystalline and disordered media, transport phenomena, photoemission spectroscopy, and electronic-structure calculations. The book begins with an intuitive approach to scattering theory and then turns to partial waves and a formal development of multiple scattering theory, with applications to the solid state (muffin-tin potentials and space-filling cells). The authors then present a variational derivation of the formalism and an augmented version of the theory. It concludes with a discussion of the relativistic formalism and a discussion of the Poisson equation. Appendices discuss Green's functions, spherical functions, Moller operators and the Lippmann-Schwinger equation, irregular solutions, and singularities in Green's functions.
Content:
Front Matter....Pages i-xiii
Introduction....Pages 1-5
Intuitive Approach to MST....Pages 6-17
Single-Potential Scattering....Pages 18-54
Formal Development of MST....Pages 55-79
MST for Muffin-Tin Potentials....Pages 80-121
MST for Space-Filling Cells....Pages 122-160
Augmented MST(*)....Pages 161-184
Relativistic Formalism....Pages 185-202
The Poisson Equation....Pages 203-225
Back Matter....Pages 226-285

---

This book describes general techniques for solving linear partial differential equations by dividing space into regions to which the equations are independently applied and then assembling a global solution from the partial ones. It is intended for researchers and graduate students involved in calculations of the electronic structure of materials, but will also be of interest to workers in quantum chemistry, electron microscopy, acoustics, optics, and other fields. Multiple scattering theory is, in essence, an extension of Huygens's principle to quantum mechanics. In classical physics, it was introduced by Rayleigh to study propagation of heat and electricity in inhomogeneous media. In quantum theory it has been used to study a number of different phenomena, including LEED spectra, defects in crystalline and disordered media, transport phenomena, photoemission spectroscopy, and electronic-structure calculations. The book begins with an intuitive approach to scattering theory and then turns to partial waves and a formal development of multiple scattering theory, with applications to the solid state (muffin-tin potentials and space-filling cells). The authors then present a variational derivation of the formalism and an augmented version of the theory. It concludes with a discussion of the relativistic formalism and a discussion of the Poisson equation. Appendices discuss Green's functions, spherical functions, Moller operators and the Lippmann-Schwinger equation, irregular solutions, and singularities in Green's functions.
Content:
Front Matter....Pages i-xiii
Introduction....Pages 1-5
Intuitive Approach to MST....Pages 6-17
Single-Potential Scattering....Pages 18-54
Formal Development of MST....Pages 55-79
MST for Muffin-Tin Potentials....Pages 80-121
MST for Space-Filling Cells....Pages 122-160
Augmented MST(*)....Pages 161-184
Relativistic Formalism....Pages 185-202
The Poisson Equation....Pages 203-225
Back Matter....Pages 226-285
....