Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics

Swapan Kumar Ghosh, Pratim Kumar Chattaraj

February 26, 2013 by CRC Press
Reference - 350 Pages - 123 B/W Illustrations
ISBN 9781466506206 - CAT# K14616
Series: Atoms, Molecules, and Clusters


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  • Focuses on the statistical treatment of assemblies of atoms and molecules
  • Provides rigorous theoretical foundations as well as applications of vital chemical significance
  • Covers simulation methods and various aspects of chemical dynamics
  • Presents different extensions of density functional theory, via time-dependent and spin-dependent situations
  • Explains the changes in molecular systems due to various perturbations and dynamics of nonlinear systems


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.