Charge and Energy Transfer Dynamics in Molecular Systems

I NTRODUCTION ELECTRONIC AND VIBRATIONAL MOLECULAR STATES Introduction Molecular Schrödinger Equation Born-Oppenheimer Separations Electronic Structure Methods Potential Energy Surfaces Adiabatic versus Diabatic Representation of the Molecular Hamiltonian Condensed Phase Approaches Supplement DYNAMICS OF ISOLATED AND OPEN QUANTUM SYSTEM Introduction Time-Dependent Schrödinger Equation The Golden Rule of Quantum Mechanics The Nonequilibrium Statistical Operator and the Density Matrix The Reduced Density Operator and the Reduced Density Matrix Quantum Mater Equation The Reservoir Correlation Function Reduced Density Matrix in Energy Representation Coordinate and Wigner Representation of the Reduced Density Matrix The Path Integral Representation of the Density Matrix Hierarchy Equations of Motion Approach Coherent to Dissipative Dynamics of a Two-Level System Trajectory-Based Methods Generalized Rate Equations: The Liouville Space Approach Supplement INTERACTION OF MOLECULAR SYSTEMS WITH RADIATION FIELDS Introduction Absorption of Light Nonlinear Optical Response Field Organization and Spontaneous Emission of Light VIBRATIONAL DYNAMICS: ENERGY REDISTRIBUTION, RELAXATION, AND DEPHASING Introduction Intramolecular Vibrational Energy Redistribution Intermolecular Vibrational Energy Relaxation Polyatomic Molecules in Solution Quantum-Classical Approaches to Relaxation and Dephasing INTRAMOLECULAR ELECTRONIC TRANSITIONS Introduction The Optical Absorption Coefficient Absorption Coefficient and Dipole-Dipole Correlation Function The Emission Spectrum Optical Preparation of an Excited Electronic State Internal Conversion Dynamics Supplement ELECTRON TRANSFER Classification of Electron Transfer Reactions Theoretical Models for Electron Transfer Systems Regimes of Electron Transfer Nonadiabatic Electron Transfer in a Donor-Acceptor Complex Bridge-Mediated Electron Transfer Nonequilibrium Quantum Statistical Description of Electron Transfer Heterogeneous Electron Transfer

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. He worked in the Department of Biophysics at the Institute of Molecular Biology in Berlin from 1987 to 1991, and has been a senior researcher at the Instiute of Physics, Humboldt University, since 1992. His current research activities focus on the theory of transfer phenomena in molecular nanostructures. Oliver Kühn studied physics at Humboldt University, Berlin. After receiving his Ph.D. degree in Theoretical Physics in 1995, he worked as a postdoc first at the University of Rochester, USA, then at Lund University, Sweden. From 1997 to 2007, Prof. Kühn has been a senior researcher at the Institute of Chemistry, Free University Berlin, where he earned his habilitation in 2000. Since 2008 he is a Professor of Theoretical Physics at the University of Rostock. His current research interests lie in ultrafast spectroscopy and dynamics of condensed phase systems such as biomolecular hydrogen bonds and excitons in molecular aggregates.