Charge and energy transfer dynamics in molecular systems. (2023)

• Record Type: Book
• Further Information: Note: Volkhard May, Oliver Kühn.
• Authors: May, Volkhard; Kühn, Oliver
• Contents: I NTRODUCTION; ; ELECTRONIC AND VIBRATIONAL MOLECULAR STATES; Introduction; Molecular Schrodinger 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 Schrodinger 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: Forster 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;
• Edition: Fourth edition
• Publisher Details: Weinheim : Wiley-VCH
• Publication Date: 2023
• Extent: 1 online resource (544 pages)
• Subjects: 541.22; Energy transfer; Charge transfer; Molecular structure; Quantum chemistry; Molecular dynamics
• Languages: English
• ISBNs: 9783527696284
• Related ISBNs: 9783527339785
• Notes: Note: Includes bibliographical references and index.; Note: Description based on CIP data; resource not viewed.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.