Charge and Energy Transfer Dynamics in Molecular Systems

Comprehensive resource offering knowledge on charge and energy transfer dynamics in molecular systems and nanostructures.

Author: Volkhard May

Publication Date: June 2, 2023

ISBN: 9783527339785, 9783527696260

Language: English

Publisher: Wiley

Charge and Energy Transfer Dynamics in Molecular Systems provides a unified description of different charge and energy transfer phenomena in molecular systems with emphasis on the theory, bridging the regimes of coherent and dissipative dynamics and thus presenting classic rate theories as well as modern treatments of ultrafast phenomena. Starting from microscopic models, the common features of the different transfer processes are highlighted, along with applications ranging from vibrational energy flow in large polyatomic molecules, the motion of protons in solution, up to the concerted dynamics of electronic and nuclear degrees of freedom in molecules and molecular aggregates.

The newly revised and updated Fourth Edition contains a more detailed coverage of recent developments in density matrix theory, mixed quantum-classical methods for dynamics simulations, and a substantially expanded treatment of time-resolved spectroscopy.

The book is written in an easy-to-follow style, including detailed mathematical derivations, thus making even complex concepts understandable and applicable.

Charge and Energy Transfer Dynamics in Molecular Systems includes information on:

• Electronic and vibrational molecular states, covering molecular Schrödinger equation, Born-Oppenheimer separation and approximation, Hartree-Fock equations and other electronic structure methods.
• Dynamics of isolated and open quantum systems, covering multidimensional wave packet dynamics, and different variants of density operator equations.
• Interaction of molecular systems with radiation fields, covering linear and nonlinear optical response using the correlation function approach.
• Intramolecular electronic transitions, covering optical transition and internal conversion processes.
• Transfer processes of electrons, protons, and electronic excitation energy.

Providing in-depth coverage of the subject, Charge and Energy Transfer Dynamics in Molecular Systems is an essential resource for anyone working on timely problems of energy and charge transfer in physics, chemistry and biophysics as well as for all engaged in nanoscience and organic electronics.