**PDF Free Download | Charge and Energy Transfer Dynamics in Molecular Systems Second Edition by Volkhard May, and Oliver Kühn**

## Contents of Charge and Energy Transfer Dynamics in Molecular Systems

- Electronic and Vibrational Molecular States
- Molecular Schrodinger Equation
- Born-Oppenheimer Separation
- Electronic Structure Methods
- Dielectric Continuum Model
- Medium Electrostatics
- Reaction Field Model
- Potential Energy Surfaces
- Harmonic Approximation and Normal Mode Analysis
- Operator Representation of the Normal Mode Hamiltonian
- Reaction Paths
- Diabatic versus Adiabatic Representation of the Molecular Hamiltonian
- Supplement
- The Hartree-Fock Equations
- Franck-Condon Factors
- The Two-Level System
- The Linear Molecular Chain and the Molecular Ring
- Dynamics of Isolated and Open Quantum Systems
- Time-Dependent Schrodinger Equation
- The Time-Evolution Operator
- The Interaction Representation
- The Golden Rule of Quantum Mechanics
- Transition from a Single State into a Continuum
- Transition Rate for a Thermal Ensemble
- The Nonequilibrium Statistical Operator and the Density Matrix
- The Density Operator
- The Density Matrix
- Equation of Motion for the Density Operator
- Wigner Representation of the Density Operator
- Dynamics of Coupled Multi-Level Systems in a Heat Bath
- The Reduced Density Operator and the Reduced Density Matrix
- The Projection Operator
- The Reservoir Correlation Function
- Harmonic Oscillator Reservoir
- Nonlinear Coupling to a HarmonicOscillator Reservoir
- The Spectral Density
- Linear Response Theory for the Reservoir
- Quantum Master Equation
- Markov Approximation
- Reduced Density Matrix in Energy Representation
- The Quantum Master Equation in Energy Representation
- Multi-Level Redfield Equations
- The Secular Approximation
- State Expansion of the System-Reservoir Coupling
- Model for Pure Dephasing Processes
- Some Estimates
- From Coherent to Dissipative Dynamics: A Simple Example
- Generalized Rate Equations: The Liouville Space Approach
- Projection Operator Technique
- Rate Equations
- Perturbational Expansion of the Rate Expressions
- The Mean-Field Approach
- The Surface Hopping Method
- Partial Wigner Representation as a Quantum-Classical Hybrid Method Supplement
- Different Equations of Motion for the Reduced Density Operator
- Correlation Function for Nonlinear Couplings to the Reservoir
- Limit of Ultrashort Reservoir Correlation Time
- Markov-Approximation and the Factorized Part of the Reservoir Correlation Function
- Numerical Propagation Methods
- The Monte Carlo Wave Function Method
- The Interaction Representation of the Reduced Density Operator I
- Second-Order Equation of Motion for the Reduced Statistical Operator I
- Coordinate and Wigner Representation of the Reduced Density Matrix
- The Path Integral Representation of the Density Matrix Quantum-Classical Hybrid Methods
- Vibrational Energy Redistribution and Relaxation
- Intramolecular Energy Redistribution
- Zeroth-Order Basis
- Golden Rule and Beyond
- Intermolecular Vibrational Energy Relaxation
- Diatomic Molecule in Solid State Environment
- Diatomic Molecules in Polyatomic Solution
- Polyatomic Molecules in Solution
- System-Bath Hamiltonian
- Higher-Order Multi-Quantum Relaxation Supplement
- Coherent Wave Packet Motion in a HarmonicOscillator
- Intramolecular Electronic Transitions
- Optical Transitions
- Internal Conversion Processes
- The Optical Absorption Coefficient
- Basic Theoretical Concepts
- Golden Rule Formulation
- The Density of States
- Absorption Lineshape and Spectral Density
- Time-Dependent Formulation of the Absorption Coefficient
- Dipole-Dipole Correlation Function
- Absorption Coefficient and Wave Packet Propagation
- Cumulant Expansion of the Absorption Coefficient
- Quasi-Classical Computation of the Absorption Coefficient
- The Rate of Spontaneous Emission
- Optical Preparation of an Excited Electronic State
- Wave Function Formulation
- Density Matrix Formulation
- Nonlinear Optical Response
- Nonlinear Susceptibilities
- Internal Conversion Dynamics
- The Internal Conversion Rate
- Ultrafast Internal Conversion Supplement
- Absorption Coefficient for Displaced Harmonic Oscillators
- Curnulant Expansion for Harmonic Potential Energy Surfaces
- Theoretical Models for Electron Transfer Systems
- The Electron Transfer Hamiltonian
- Absorption Coefficient for Harmonic Potential Energy Surfaces
- Absorption Coefficient and Reduced Density Operator Propagation
- Electron Transfer
- The Electron-Vibrational Hamiltonian of a Donor-Acceptor Complex
- Two Independent Sets of Vibrational Coordinates
- State Representation of the Hamiltonian
- Regimes of Electron Transfer
- Landau-Zener Theory of Electron Transfer
- Nonadiabatic Electron Transfer in a Donor-Acceptor Complex
- High-Temperature Case
- High-Temperature Case: Two Independent Sets of Vibrational Coordinates
- Low-Temperature Case: Nuclear Tunneling
- The Mixed Quantum-Classical Case
- Description of the Mixed Quantum-Classical Case by a Spectral Density
- Nonadiabatic Electron Transfer in Polar Solvents
- The Solvent Polarization Field and the Dielectric Function
- The Free Energy of the Solvent
- The Rate of Nonadiabatic Electron Transfer in Polar Solvents
- Bridge-Assisted Electron Transfer
- Electron Transfer Through Long Bridges
- Nonequilibrium Quantum Statistical Description of Electron Transfer
- Unified Description of Electron Transfer in a Donor-Bridge-Acceptor System
- Transition to the Adiabatic Electron Transfer
- Photoinduced Ultrafast Electron Transfer
- Quantum Master Equation for Electron Transfer Reactions
- Rate Expressions
- Supplement
- Landau-Zener Transition Amplitude
- The Multi-Mode Marcus Formula
- The Free Energy Functional of the Solvent Polarization
- Second-Order Electron Transfer Rate
- Fourth-Order Donor-Acceptor Transition Rate
- Proton Transfer
- Adiabatic Proton Transfer Nonadiabatic Proton Transfer
- The Intermediate Regime: From Quantum to Quantum-Classical Hybrid Methods
- Multidimensional Wave Packet Dynamics
- Surface Hopping
- Exciton Transfer
- The Exciton Hamiltonian
- The Two-Level Model
- Single and Double Excitations of the Aggregate
- Delocalized Exciton States
- Exciton-Vibrational Interaction
- Coupling to Intramolecular Vibrations
- Coupling to Aggregate Normal-Mode Vibrations faces
- Regimes of Exciton Transfer
- Forster Theory of Incoherent Exciton Transfer
- The Forster Transfer Rate
- Energy Transfer Between Delocalized States
- Site Representation
- Energy Representation
- The Aggregate Absorption Coefficient
- Absence of Exciton-Vibrational Coupling
- Static Disorder
- Limit of Weak Exciton-Vibrational Coupling Supplement
- Exciton-Exciton Annihilation
- Exciton-Vibrational Hamiltonian and Excitonic Potential Energy Sur Nonequilibrium Quantum Statistical Description of Forster Transfer
- Transfer Dynamics in the Case of Weak Exciton-Vibrational Coupling
- Laser Control of Charge and Energy Transfer Dynamics
- Optimal Control Theory
- The Control Functional and the Control Field
- Mixed-State and Dissipative Dynamics
- Iterative Determination of the Optimal Pulse
- Laser Pulse Control of Particle Transfer
- Infrared Laser-Pulse Control of Proton Transfer
- Controlling Photoinduced Electron Transfer Supplement
- Dissipative Backward Time Evolution