Description
I NTRODUCTION ELECTRONIC AND VIBRATIONAL MOLECULAR STATES Introduction Molecular Schrdinger 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 Schrdinger 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 Charge Transmission through Single Molecules Photoinduced Ultrafast Electron Transfer Supplement PROTON TRANSFER Introduction Proton Transfer Hamiltonian Adiabatic Proton Transfer Nonadiabatic Proton Transfer The Intermediate Regime: From Quantum to Quantum-Classical Hybrid Methods Proton-Coupled Electron Transfer EXCITATION ENERGY TRANSFER Introduction The Aggregate Hamiltonian Exciton-Vibrational Interaction Regimes of Excitation Energy Transfer Transfer Dynamics in the Case of Weak Excitonic Coupling: Frster Theory Transfer Dynamics in the Case of Strong Excitonic Coupling Optical Properties of Aggregates Excitation Energy Transfer Including Charge Transfer States Exciton-Exciton Annihilation Supplement INDEX
