Beschreibung
InhaltsangabeGround 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.
Inhaltsverzeichnis
Ground and Excited State Formalisms.- Magnetic Properties.- Disordered Alloys.- Large-Scale Real-Space Calculations.
