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.
Theoretical Studies of Nucleation and Growth. Transport Properties of Binary Mixtures of Asymmetric Particles: A Simulation Study. Time-Dependent Density Functional Theoretical Methods for Nonperturbative Treatment of Multiphoton Processes of Many- Electron Molecular Systems in Intense Laser Fields. Symmetries and Conservation Laws in the Lagrangian Picture of Quantum Hydrodynamics. Synchronization in Coupled Nonlinear Oscillators: Relevance to Neuronal Dynamics. Nonperturbative Dynamics of Molecules in Intense Few-Cycle Laser Fields: Experimental and Theoretical Progress. Selective Photodynamic Control of Bond Dissociation Using Optimal Initial Vibrational States. Theoretical Framework for Charge Carrier Mobility in Organic Molecular Solids. Quantum Brownian Motion in a Spin-Bath. Excitation Energy Transfer from Fluorophores to Graphene. Third Law of Thermodynamics Revisited for Spin-Boson Model. Mechanism of Chemical Reactions in Four Concepts. All-Atom Computation of Vertical and Adiabatic Ionization Energy of the Aqueous Hydroxide Anion. Vibrational Spectral Diffusion and Hydrogen Bonds in Normal and Supercritical Water. Index.