Concepts and Methods in Modern Theoretical Chemistry

Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics, the second book in a two-volume set, focuses on the dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables 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.

This book covers a wide range of subjects, including discussions on the following topics:

Time-dependent DFT

Quantum fluid dynamics (QFD)

Photodynamic control, nonlinear dynamics, and quantum hydrodynamics

Molecules in a laser field, charge carrier mobility, and excitation energy transfer

Mechanisms of chemical reactions

Nucleation, quantum Brownian motion, and the third law of thermodynamics

Transport properties of binary mixtures

Although most of the chapters are written at a level that is accessible to a senior graduate student, experienced researchers will also find interesting new insights in these experts’ perspectives. This book provides an invaluable resource toward understanding the whole gamut of atoms, molecules, and clusters.