Electronic Structure of Alloys, Surfaces and Clusters

ISBN: 9780415272490 出版年：2002 页码：385 CRC Press

Locality in Electronic Structure- An Introduction to the Recursion Method. Introduction to the Linear Band Structure Methods. Introduction to Augmented Space Methods. Electronic Structure of Disordered Alloys Using the KKR Method. Phase Stability of Binary Intermetallics: A First Principles Approach. Application of the Augmented Space Recursion to the Study of Electronic Structure and Phase Stability of Disordered Alloys. Estimation of Parameters of Many-body Model Hamiltonians from Ab Initio Calculations. Equilibrium and Non-equilibrium Statistical Mechanics of Alloys in a Face Centered Cubic Lattice. Growth, Electronic and Magnetic Structure of Rough Surfaces. Ab Initio Orbital Free Molecular Dynamics: Technique and Applications. Ab Initio Study of Transition Metal Clusters.