Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics

Offering chapters written by experts in their fields, this book focuses on the statistical treatment of assemblies of atoms and molecules, including computer simulation methods (both ab initio and classical molecular dynamics) as well as various aspects of chemical dynamics. Itenables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict chemical dynamics. Paying particular attention to current trends in the field, this book covers both theory and applications.