
Concepts and Methods in Modern Theoretical Chemistry
Statistical Mechanics
CRC Press
1st Edition
Published on 26. February 2013
Book
Hardback
350 pages
978-1-4665-0620-6 (ISBN)
Description
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.
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.
More details
Language
English
Place of publication
Bosa Roca
United States
Publishing group
Taylor & Francis Inc
Target group
College/higher education
Professional Practice & Development
Dimensions
Height: 240 mm
Width: 161 mm
Thickness: 23 mm
Weight
693 gr
ISBN-13
978-1-4665-0620-6 (9781466506206)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions

Swapan Kumar Ghosh | Pratim Kumar Chattaraj
Concepts and Methods in Modern Theoretical Chemistry
Statistical Mechanics
Book
09/2019
1st Edition
CRC Press
€96.40
Shipment within 15-20 days

Swapan Kumar Ghosh | Pratim Kumar Chattaraj
Concepts and Methods in Modern Theoretical Chemistry
Statistical Mechanics
E-Book
04/2016
1st Edition
CRC Press
€89.99
Available for download

Swapan Kumar Ghosh | Pratim Kumar Chattaraj
Concepts and Methods in Modern Theoretical Chemistry
Statistical Mechanics
E-Book
04/2016
CRC Press
€89.99
Available for download
Persons
Swapan Kumar Ghosh earned a B.S. (Honors) and an M.S. from the University of Burdwan, Bardhaman, India, and a Ph.D. from the Indian Institute of Technology, Bombay. He did postdoctoral research at the University of North Carolina, Chapel Hill. Dr. Ghosh is currently a senior scientist with the Bhabha Atomic Research Centre (BARC), Mumbai, India, and head of its theoretical chemistry section. He is also a senior professor and dean-academic (Chemical Sciences, BARC) of the Homi Bhabha National Institute, Department of Atomic Energy (DAE), India, and an adjunct professor with the University of Mumbai-DAE Centre of Excellence in Basic Sciences, India. Dr. Ghosh's research interests are theoretical chemistry, computational materials science, and soft condensed matter physics.
Pratim Kumar Chattaraj earned a B.S. (Honors) and an M.S. from Burdwan University and a Ph.D. from the Indian Institute of Technology (IIT), Bombay, and then joined the faculty of the IIT, Kharagpur. He is now a professor with the Department of Chemistry and also the convener of the Center for Theoretical Studies there. He visited the University of North Carolina, Chapel Hill, as a postdoctoral research associate and several other universities throughout the world as a visiting professor. Apart from teaching, Professor Chattaraj is involved in research on density functional theory, the theory of chemical reactivity, aromaticity in metal clusters, ab initio calculations, quantum trajectories, and nonlinear dynamics. He has been invited to deliver special lectures at several international conferences and to contribute chapters to many edited volumes.
Pratim Kumar Chattaraj earned a B.S. (Honors) and an M.S. from Burdwan University and a Ph.D. from the Indian Institute of Technology (IIT), Bombay, and then joined the faculty of the IIT, Kharagpur. He is now a professor with the Department of Chemistry and also the convener of the Center for Theoretical Studies there. He visited the University of North Carolina, Chapel Hill, as a postdoctoral research associate and several other universities throughout the world as a visiting professor. Apart from teaching, Professor Chattaraj is involved in research on density functional theory, the theory of chemical reactivity, aromaticity in metal clusters, ab initio calculations, quantum trajectories, and nonlinear dynamics. He has been invited to deliver special lectures at several international conferences and to contribute chapters to many edited volumes.
Content
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.