V Kumar

O K Andersen

A Mookerjee

Developments in the density functional theory and the methods of electronic structure calculations have made it possible to carry out ab-initio studies of a variety of materials efficiently and at a predictable level. This book covers many of those state-of-the-art developments and their applications to ordered and disordered materials, surfaces and interfaces and clusters, etc. Contents: Density Functional Theory: Many-Body Effects Without Tears (M P Das)Different Approximations Within Density Functional Theory, Their Advantages and Limitations (U von Barth)Exact Muffin-Tin Orbital Theory (O K Andersen et al.)Solving Electronic Structure Problems with the Recursion Method (R Haydock)Real Space Electronic Structure Calculation Using the Recursion Method (P Vargas C)The Augmented Space and Electronic Structure of Random Binary Alloys (A Mookerjee)KKR Approach to Random Alloys (R Prasad)Self-Consistent Green's Function Method for Random Alloys and Their Surfaces (J Kudrnovský et al.)Magnetism and Compositional Order in Transition Metal Alloys (J B Staunton et al.)First Principles Investigation of Epitaxial Interfaces Using LMTO-Supercell Approach (G P Das)Ab-Initio Molecular-Dynamics: The Car-Parrinello Method (G Pastore)Atomic and Electronic Structure of Clusters from Car-Parrinello Method (V Kumar)Car-Parrinello MD with the Vanderbilt's Ultrasoft Pseudopotentials (K Laasonen) Readership: Researchers in condensed matter physics, materials science and semiconductors.

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