2 Electronic and VibrationalMolecular States.
2.1 Introduction.
2.2 Molecular Schrödinger Equation.
2.3 BornOppenheimer Separation.
2.4 Electronic Structure Methods.
2.5 Dielectric Continuum Model.
2.6 Potential Energy Surfaces.
2.6.1 Harmonic Approximation and Normal Mode Analysis.
2.6.2 Operator Representation of the Normal Mode Hamiltonian.
2.6.3 Reaction Paths.
2.7 Diabatic versus Adiabatic Representation of the Molecular Hamiltonian.
2.8 Supplement.
3 Dynamics of Isolated and Open Quantum Systems.
3.1 Introduction.
3.2 TimeDependent Schrödinger Equation.
3.3 The Golden Rule of Quantum Mechanics.
3.4 The Nonequilibrium Statistical Operator and the Density Matrix.
3.5 The Reduced Density Operator and the Reduced Density Matrix.
3.6 The Reservoir Correlation Function.
3.7 Quantum Master Equation.
3.8 Reduced Density Matrix in E nergy Representation.
3.9 Generalized Rate Equations: The Liouville Space Approach.
3.10 The Path Integral Representation of the Density.
3.11 QuantumClassical Hybrid Methods.
3.12 Supplement.
4 Vibrational Energy Redistribution and Relaxation.
4.1 Introduction.
4.2 Intramolecular Energy Redistribution.
4.3 Intermolecular Vibrational Energy Relaxation.
4.4 Polyatomic Molecules in Solution.
4.5 Supplement.
4.5.1 Coherent Wave Packet Motion in a Harmonic Oscillator.
5 Intramolecular Electronic Transitions.
5.1 Introduction.
5.2 The Optical Absorption Coefficient.
5.3 TimeDependent Formulation of the Absorption Coefficient.
5.4 The Rate of Spontaneous Emission.
5.5 Optical Preparation of an Excited Electronic State.
5.6 Nonlinear Optical Response.
5.7 Internal Conversion Dynamics.
5.8 Supplement.
6 Electron Transfer.
6.1 Introduction.
6.2 Theoretical Models for Electron Transfer Systems.
6.3 Regimes of Electron Transfer.
6.4 Nonadiabatic Electron Transfer in a DonorAcceptor Complex.
6.5 Nonadiabatic Electron Transfer in Polar Solvents.
6.6 BridgeAssisted Electron Transfer.
6.7 Nonequilibrium Quantum Statistical Description of Electron Transfer.
6.8 Photoinduced Ultrafast Electron Transfer.
6.9 Supplement.
7 Proton Transfer.
7.1 Introduction.
7.2 Proton Transfer Hamiltonian.
7.3 Adiabatic Proton Transfer.
7.4 Nonadiabatic Proton Transfer.
7.5 The Intermediate Regime: From Quantum to QuantumClassical Hybrid Methods.
8 Exciton Transfer.
8.1 Introduction.
8.2 The Exciton Hamiltonian.
8.3 ExcitonVibrational Interaction.
8.4 Regimes of Exciton Transfer.
8.5 Förster Theory of Incoherent Exciton Transfer.
8.6 Transfer Dynamics in the Case of Weak ExcitonVibrational Coupling.
8.7 The Aggregate Absorption Coefficient.
8.8 Supplement.
9 Laser Control of Charge and Energy Transfer Dynamics.
9.1 Introduction.
9.2 Optimal Control Theory.
9.3 Laser Pulse Control of Particle Transfer.
9.4 Supplement.
10 Suggested Reading.Index.
Schlagwörter zu:
Charge and Energy Transfer Dynamics in Molecular Systems von Volkhard May - mit der ISBN: 9783527617470
Atom- u. Molekülphysik; Atomic and Molecular Physics; Biowissenschaften; Cell & Molecular Biology; Chemie; Chemistry; Chemistry Special Topics; Energietransfer (Mikrophysik); Ladungstransfer; Life Sciences; Molekülphysik; Physical Chemistry; Physics; Physik; Physikalische Chemie; Spectroscopy; Spektroskopie; Spezialthemen Chemie; Zell- u. Molekularbiologie, Online-Buchhandlung
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