Full Description
A very comprehensive book, enabling the reader to understand the basic formalisms used in electronic structure determination and particularly the "Muffin Tin Orbitals" methods. The latest developments are presented, providing a very detailed description of the "Full Potential" schemes. This book will provide a real state of the art, since almost all of the contributions on formalism have not been, and will not be, published elsewhere. This book will become a standard reference volume. Moreover, applications in very active fields of today's research on magnetism are presented. A wide spectrum of such questions is covered by this book. For instance, the paper on interlayer exchange coupling should become a "classic", since there has been fantastic experimental activity for 10 years and this can be considered to be the "final" theoretical answer to this question. This work has never been presented in such a complete form.
Contents
Ground and Excited-State Formalisms.- Developing the MTO Formalism.- From ASA Towards the Full Potential.- A Full-Potential LMTO Method Based on Smooth Hankel Functions.- Full-Potential LMTO Total Energy and Force Calculations.- Excited States Calculated by Means of the Linear Mu.n-Tin Orbital Method.- Magnetic Properties.- Fully Relativistic Band Structure Calculations for Magnetic Solids - Formalism and Application.- First Principles Theory of Magneto—Crystalline Anisotropy.- On the Implementation of the Self-Interaction Corrected Local Spin Density Approximation for d- and f-Electron Systems.- Ab Initio Theory of the Interlayer Exchange Coupling.- Disordered Alloys.- Disordered Alloys and Their Surfaces: The Coherent Potential Approximation.- Locally Self-Consistent Green's Function Method and Its Application in the Theory of Random Alloys.- Large-Scale Real-Space Calculations.- Sparse Direct Methods: An Introduction.- Real-Space Tight-Binding LMTO Approach to Magnetic Anisotropy: Application to Nickel Films on Copper.- Combining Real Space and Tight Binding Methods for Studying Large Metallic Systems.
