Charge and Energy Transfer Dynamics in Molecular Systems

Charge and Energy Transfer Dynamics in Molecular Systems
Title Charge and Energy Transfer Dynamics in Molecular Systems PDF eBook
Author Volkhard May
Publisher John Wiley & Sons
Pages 600
Release 2011-04-27
Genre Science
ISBN 3527633812

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This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It naturally retains the successful concept of its predecessors in presenting a unified perspective on molecular charge and energy transfer processes, thus bridging the regimes of coherent and dissipative dynamics, and establishing a connection between classic rate theories and modern treatments of ultrafast phenomena. Among the new topics are: - Time-dependent density functional theory - Heterogeneous electron transfer, e.g. between molecules and metal or semiconductor surfaces - Current flows through a single molecule. While serving as an introduction for graduate students and researchers, this is equally must-have reading for theoreticians and experimentalists, as well as an aid to interpreting experimental data and accessing the original literature.

Quantum Dynamics of Charge and Energy Transfer in Molecular Systems

Quantum Dynamics of Charge and Energy Transfer in Molecular Systems
Title Quantum Dynamics of Charge and Energy Transfer in Molecular Systems PDF eBook
Author Volkhard May
Publisher Wiley-VCH
Pages 420
Release 2015-02-23
Genre Science
ISBN 9783527407330

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This advanced text is based on the successful concept of the first and second edition of the monograph, in presenting a unified perspective on molecular charge and energy transfer processes. The authors bridge the regimes of coherent and dissipative dynamics, thus establishing the connection between classic rate theories and modern treatments of ultrafast phenomena. The book serves as an introduction for graduate students and researchers. The style of writing, end of chapter problems and especially accompanying model code make this book unrivalled on the market. Among the new topics of this second edition are - semiclassical and quantum-classical hybrid formulations of molecular dynamics - the basics of femtosecond nonlinear spectroscopy - electron transfer through molecular bridges and proteins - multidimensional tunneling in proton transfer reactions - two-exciton states and exciton annihilation in biological and nonbiological chromophore complexes More illustrating examples as well as an enlarged reference list are added. A new chapter gives an introduction into the theory of laser pulse control of molecular transfer processes.

Charge and Energy Transfer Dynamics in Molecular Systems

Charge and Energy Transfer Dynamics in Molecular Systems
Title Charge and Energy Transfer Dynamics in Molecular Systems PDF eBook
Author
Publisher
Pages
Release 2000
Genre
ISBN

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Charge and Energy Transfer Dynamics in Molecular Systems

Charge and Energy Transfer Dynamics in Molecular Systems
Title Charge and Energy Transfer Dynamics in Molecular Systems PDF eBook
Author Volkhard May
Publisher Wiley-VCH
Pages 424
Release 2000-02-22
Genre Science
ISBN

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Providing a unified description of different transfer phenomena in molecular systems, this volume serves as an introduction for graduate students and researchers. The authors manage to bridge the regimes of coherent and dissipative dynamics and thus establish the connection between classic rate theories and modern treatments of ultrafast phenomena. Starting from microscopic models, the common features of the different transfer processes are highlighted. The applications range from vibrational energy flow in large polyatomics, the motion of protons in solution, up to the concerted dynamics of electronic and nuclear degrees of freedom in molecules and molecular aggregates.

Energy Transfer Dynamics in Biomaterial Systems

Energy Transfer Dynamics in Biomaterial Systems
Title Energy Transfer Dynamics in Biomaterial Systems PDF eBook
Author Irene Burghardt
Publisher Springer Science & Business Media
Pages 476
Release 2009-09-22
Genre Science
ISBN 3642023061

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The role of quantum coherence in promoting the e ciency of the initial stages of photosynthesis is an open and intriguing question. Lee, Cheng, and Fleming, Science 316, 1462 (2007) The understanding and design of functional biomaterials is one of today’s grand challenge areas that has sparked an intense exchange between biology, materials sciences, electronics, and various other disciplines. Many new - velopments are underway in organic photovoltaics, molecular electronics, and biomimetic research involving, e. g. , arti cal light-harvesting systems inspired by photosynthesis, along with a host of other concepts and device applications. In fact, materials scientists may well be advised to take advantage of Nature’s 3. 8 billion year head-start in designing new materials for light-harvesting and electro-optical applications. Since many of these developments reach into the molecular domain, the - derstanding of nano-structured functional materials equally necessitates f- damental aspects of molecular physics, chemistry, and biology. The elementary energy and charge transfer processes bear much similarity to the molecular phenomena that have been revealed in unprecedented detail by ultrafast op- cal spectroscopies. Indeed, these spectroscopies, which were initially developed and applied for the study of small molecular species, have already evolved into an invaluable tool to monitor ultrafast dynamics in complex biological and materials systems. The molecular-level phenomena in question are often of intrinsically quantum mechanical character, and involve tunneling, non-Born- Oppenheimer e ects, and quantum-mechanical phase coherence.

Quantum Dynamics

Quantum Dynamics
Title Quantum Dynamics PDF eBook
Author Eric R. Bittner
Publisher CRC Press
Pages 334
Release 2009-07-21
Genre Science
ISBN 1439882142

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Even though time-dependent spectroscopic techniques continue to push the frontier of chemical physics, they receive scant mention in introductory courses and are poorly covered in standard texts. Quantum Dynamics: Applications in Biological and Materials Systems bridges the gap between what is traditionally taught in a one-semester quantum chemistr

Quantum Dynamics of Complex Molecular Systems

Quantum Dynamics of Complex Molecular Systems
Title Quantum Dynamics of Complex Molecular Systems PDF eBook
Author David A. Micha
Publisher Springer Science & Business Media
Pages 424
Release 2006-11-22
Genre Science
ISBN 3540344608

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Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods