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.

Volkhard May studied physics at Humboldt University, Berlin, and received his Ph.D. in Theoretical Physics in 1981, and his Habilitation at the College of Education, Güstrow, in 1987. His research activities focused on the theory of transfer phenomena in molecular nanostructures. He is retired since 2019.

*Oliver Kühn received his PhD from Humboldt University, Berlin. Since 2008 he is a Professor of Theoretical Physics at the University of Rostock. His current research focusses on dynamics of condensed phase systems such as molecular aggregates and novel materials.*