Computer Simulation of Materials at Atomic Level [With CDROM] Book

Partial table of contents:
METHODS.
Choosing Models for Solids (P. Deak).
The Art and Science of an Analytic Potential (D. Brenner).
An Introduction to the Third-Generation LMTO Method (R. Tank & C. Arcangeli).
LDA Calculations Using a Basis of Gaussian Orbitals (P. Bridden & R. Jones).
Large-Scale Electronic Structure Calculations Using Linear Scaling Methods (G. Galli).
Concurrent Coupling of Length Scales in Solid State Systems (R. Rudd & J. Broughton).
APPLICATIONS.
Electric Fields in Electronic Structure Calculations: Electric Polarizabilities and IR and Raman Spectra from First Principles (K. Jackson).
Ab initio Monte Carlo Investigations of Small Lithium Clusters (S. Srinivas & J. Jellinek).
Ab initio Molecular Dynamics Simulations of Reactions at Surfaces (A. Gross).
Metal Surfaces: Surface, Step and Kink Formation Energies (J. Kollar, et al.).
Constant-Pressure Molecular Dynamics of Amorphous Si (H. Urbassek & P. Klein).
Structure and Dynamics of Point Defects in Crystalline Silicon (S. Estreicher).
Superhard Materials (J. Lowther).
From Band Structures to Linear and Nonlinear Optical Spectra in Semiconductors (W. Lambrecht & S. Rashkeev).
Si Nanoparticles as a Model for Porous Si (M. Caldas).
Semiconductor Nanostructures (A. Di Carlo).
Index.