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Dynamics of Molecular Excitons

Dynamics of Molecular Excitons
A Book

by Seogjoo J. Jang

  • Publisher : Elsevier
  • Release : 2020-04-25
  • Pages : 242
  • ISBN : 0081023367
  • Language : En, Es, Fr & De
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Dynamics of Molecular Excitons provides a comprehensive, but concise description of major theories on the dynamics of molecular excitons, intended to serve as a self-contained resource on the topic. Designed to help those new to this area gain proficiency in this field, experts will also find the book useful in developing a deeper understanding of the subject. The starting point of the book is the standard microscopic definition of molecular Hamiltonians presented in commonly accepted modern quantum mechanical notations. Major assumptions and approximations involved in constructing Frenkel-type exciton Hamiltonians, which are well established, but are often hidden under arcane notations and approximations of old publications, are presented in detail. This will help quantum chemists understand the major assumptions involved in the definition of commonly used exciton models. Rate theories of exciton dynamics, such as Förster and Dexter theories and their modern generalizations, are presented in a unified and detailed manner. In addition, important aspects that are often neglected, such as local field effect and the role of fluctuating environments, are discussed. Various quantum dynamics methods allowing coherent dynamics of excitons are presented in a systematic manner in the context of quantum master equations or path integral formalisms. The author also provides a detailed theoretical explanation for the major spectroscopic techniques probing exciton dynamics, including modern two-dimensional electronic spectroscopy, with a critical assessment of the implications of these spectroscopic measurements. Finally, the book includes a brief overview of major applications including an explanation of organic photovoltaic materials and natural light harvesting complexes. Covers major theories of exciton dynamics in a consciously concise and easily readable way Bridges the gap between quantum dynamics working with phenomenological exciton Hamiltonian and quantum chemistry construct reliable models amenable for dynamics calculations from ab initio calculations Explores modern nonlinear electronic spectroscopy techniques to probe exciton dynamics, showing how it is applied

Exciton Dynamics in Molecular Crystals and Aggregates

Exciton Dynamics in Molecular Crystals and Aggregates
A Book

by Anonim

  • Publisher : Springer
  • Release : 2006-04-11
  • Pages : 228
  • ISBN : 3540390685
  • Language : En, Es, Fr & De
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Quantum Dynamics of Complex Molecular Systems

Quantum Dynamics of Complex Molecular Systems
A Book

by David A. Micha,Irene Burghardt

  • Publisher : Springer Science & Business Media
  • Release : 2006-11-22
  • Pages : 429
  • ISBN : 3540344608
  • Language : En, Es, Fr & De
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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

Molecular Excitation Dynamics and Relaxation

Molecular Excitation Dynamics and Relaxation
Quantum Theory and Spectroscopy

by Leonas Valkunas,Darius Abramavicius,Tomás Mancal

  • Publisher : John Wiley & Sons
  • Release : 2013-10-04
  • Pages : 470
  • ISBN : 3527653678
  • Language : En, Es, Fr & De
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This work brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to conduct research and understand the entire fi eld rather than just single aspects. Written by experienced authors and recognized authorities in the field, this text covers numerous applications and offers examples taken from different disciplines. As a result, spectroscopists, molecular physicists, physical chemists, and biophysicists will all fi nd this a must-have for their research. Also suitable as supplementary reading in graduate level courses.

Biophysical Chemistry

Biophysical Chemistry
Membranes and Proteins

by Royal Society of Chemistry (Great Britain). Biophysical Chemistry Group. Meeting

  • Publisher : Royal Society of Chemistry
  • Release : 2002
  • Pages : 280
  • ISBN : 9780854048519
  • Language : En, Es, Fr & De
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In the post-genomic world, advances in the comprehension of cell behaviour will depend upon scientists deciphering the molecular basis of interactions between proteins and membranes. Bringing together contributions from chemists, biologists and physicists, Biophysical Chemistry: Membranes and Proteins demonstrates how multidisciplinary teams can gain insights into understanding complex biological systems. This book reflects both the scope and the interdisciplinary nature of the field, with topics including: modelling of biological systems; membrane structure and interactions; probing biomolecules; and channels and receptors. Full of stimulating articles and opinions, readers from academia and industry will welcome the wide range of coverage and the state-of-the-art science.

Structure and Dynamics of Molecular Systems

Structure and Dynamics of Molecular Systems
2 Volumes

by R. Daudel,J.P. Korb,J.P. Lemaistre,Jean Maruani

  • Publisher : Springer Science & Business Media
  • Release : 1985-04-30
  • Pages : 282
  • ISBN : 9789027719775
  • Language : En, Es, Fr & De
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This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985. They are intended to provide a survey of topics of current interest relative to the structure and the dynamics of molecular systems. The papers have been selected on the basis of their relevance to the following four topics: i) molecular conformations and transformations; ii) molecular relaxation and motion; iii) charge, spin and momentum distributions in molecular solids; iv) collective phenomena in condensed matter. The first volume deals f)1ostly with the first two topics, the second volume mostly with the last two. Each volume consists of about fifteen self contained, reference contributions covering recent achievements in active branches of molecular physics and physical chemistry. The first four papers of the present volume deal with theoretical aspects of structure and reactivity problems, with particular attention being paid to topology considerations, which have joined symmetry con siderations as an important tool in approaching chemistry problems. The treatment of nuclear probability density distributions is performed on a model basis for a simple system, even though it has come to the attention of theoreticians through experimental results for complex systems.

Dissipative Exciton Dynamics in Light-Harvesting Complexes

Dissipative Exciton Dynamics in Light-Harvesting Complexes
A Book

by Marco Schröter

  • Publisher : Springer
  • Release : 2015-03-18
  • Pages : 121
  • ISBN : 3658092823
  • Language : En, Es, Fr & De
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Marco Schröter investigates the influence of the local environment on the exciton dynamics within molecular aggregates, which build, e.g., the light-harvesting complexes of plants, bacteria or algae by means of the hierarchy equations of motion (HEOM) method. He addresses the following questions in detail: How can coherent oscillations within a system of coupled molecules be interpreted? What are the changes in the quantum dynamics of the system for increasing coupling strength between electronic and nuclear degrees of freedom? To what extent does decoherence govern the energy transfer properties of molecular aggregates?.

Charge and Energy Transfer Dynamics in Molecular Systems

Charge and Energy Transfer Dynamics in Molecular Systems
A Theoretical Introduction

by Volkhard May,Oliver Kühn

  • Publisher : Wiley-VCH
  • Release : 2000-02-22
  • Pages : 416
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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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.

Charge and Energy Transfer Dynamics in Molecular Systems

Charge and Energy Transfer Dynamics in Molecular Systems
A Book

by Volkhard May,Oliver Kühn

  • Publisher : John Wiley & Sons
  • Release : 2011-04-27
  • Pages : 581
  • ISBN : 3527633812
  • Language : En, Es, Fr & De
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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.

Theory of Molecular Excitons

Theory of Molecular Excitons
A Book

by A. Davydov

  • Publisher : Springer
  • Release : 2013-11-11
  • Pages : 313
  • ISBN : 1489951695
  • Language : En, Es, Fr & De
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Excitons, Magnons and Phonons in Molecular Crystals

Excitons, Magnons and Phonons in Molecular Crystals
Proceedings of an International Symposium Held at the Physics Department of the American University of Beirut, Lebanon

by Zahlan

  • Publisher : CUP Archive
  • Release : 1968-11-02
  • Pages : 224
  • ISBN : 9780521073523
  • Language : En, Es, Fr & De
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Charge and Exciton Transport through Molecular Wires

Charge and Exciton Transport through Molecular Wires
A Book

by Laurens D. A. Siebbeles,Ferdinand C. Grozema

  • Publisher : John Wiley & Sons
  • Release : 2011-07-18
  • Pages : 334
  • ISBN : 352763309X
  • Language : En, Es, Fr & De
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As functional elements in opto-electronic devices approach the singlemolecule limit, conducting organic molecular wires are the appropriate interconnects that enable transport of charges and charge-like particles such as excitons within the device. Reproducible syntheses and a thorough understanding of the underlying principles are therefore indispensable for applications like even smaller transistors, molecular machines and light-harvesting materials. Bringing together experiment and theory to enable applications in real-life devices, this handbook and ready reference provides essential information on how to control and direct charge transport. Readers can therefore obtain a balanced view of charge and exciton transport, covering characterization techniques such as spectroscopy and current measurements together with quantitative models. Researchers are thus able to improve the performance of newly developed devices, while an additional overview of synthesis methods highlights ways of producing different organic wires. Written with the following market in mind: chemists, molecular physicists, materials scientists and electrical engineers.

Molecular Excitation Dynamics and Relaxation

Molecular Excitation Dynamics and Relaxation
Quantum Theory and Spectroscopy

by Leonas Valkunas,Darius Abramavicius,Tomás Mancal

  • Publisher : John Wiley & Sons
  • Release : 2013-10-04
  • Pages : 470
  • ISBN : 3527653678
  • Language : En, Es, Fr & De
GET BOOK

This work brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to conduct research and understand the entire fi eld rather than just single aspects. Written by experienced authors and recognized authorities in the field, this text covers numerous applications and offers examples taken from different disciplines. As a result, spectroscopists, molecular physicists, physical chemists, and biophysicists will all fi nd this a must-have for their research. Also suitable as supplementary reading in graduate level courses.

Charge and Exciton Transport through Molecular Wires

Charge and Exciton Transport through Molecular Wires
A Book

by Laurens D. A. Siebbeles,Ferdinand C. Grozema

  • Publisher : John Wiley & Sons
  • Release : 2011-07-18
  • Pages : 334
  • ISBN : 352763309X
  • Language : En, Es, Fr & De
GET BOOK

As functional elements in opto-electronic devices approach the singlemolecule limit, conducting organic molecular wires are the appropriate interconnects that enable transport of charges and charge-like particles such as excitons within the device. Reproducible syntheses and a thorough understanding of the underlying principles are therefore indispensable for applications like even smaller transistors, molecular machines and light-harvesting materials. Bringing together experiment and theory to enable applications in real-life devices, this handbook and ready reference provides essential information on how to control and direct charge transport. Readers can therefore obtain a balanced view of charge and exciton transport, covering characterization techniques such as spectroscopy and current measurements together with quantitative models. Researchers are thus able to improve the performance of newly developed devices, while an additional overview of synthesis methods highlights ways of producing different organic wires. Written with the following market in mind: chemists, molecular physicists, materials scientists and electrical engineers.

Ultrafast Phenomena XIV

Ultrafast Phenomena XIV
Proceedings of the 14th International Conference [on Ultrafast Phenomena,] Niigata, Japan, July 25-30, 2004

by Takayoshi Kobayashi,Tadashi Okada,Tetsuro Kobayashi,Sandro De Silvestri,Keith A. Nelson

  • Publisher : Springer Science & Business Media
  • Release : 2005
  • Pages : 907
  • ISBN : 9783540241102
  • Language : En, Es, Fr & De
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Ultrafast Phenomena XIV presents the latest advances in ultrafast science, including ultrafast laser and measurement technology as well as studies of ultrafast phenomena. Pico-, femto-, and atosecond processes relevant in physics, chemistry, biology and engineering are presented. Ultrafast technology is now having a profound impact within a wide range of applications, among them imaging, material diagnostics, and transformation and high-speed optoelectronics. This book summarizes results presented at the 14th Ultrafast Phenomena Conference and reviews the state of the art in this important and rapidly advancing field.

Electronic Structure and Ultrafast Dynamics in Molecular Films on Metal Surfaces

Electronic Structure and Ultrafast Dynamics in Molecular Films on Metal Surfaces
A Book

by Gregory John Dutton

  • Publisher : Unknown Publisher
  • Release : 2006
  • Pages : 266
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Excitonic and Vibrational Dynamics in Nanotechnology

Excitonic and Vibrational Dynamics in Nanotechnology
A Book

by Svetlana Kilina,Bradley F. Habenicht

  • Publisher : Pan Stanford Publishing
  • Release : 2009-03-05
  • Pages : 188
  • ISBN : 981424130X
  • Language : En, Es, Fr & De
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Semiconductor quantum dots (QDs) and single-walled carbon nanotubes (SWCNTs) are two examples of low-dimensional nanomaterials. This book investigates QDs and SWCNTs using quantum-chemical calculations that describe details of excited state phenomena, and provides information about the mechanisms that occur on the atomic level. Rapid advances in chemical synthesis and fabrication techniques have led to novel nano-sized materials that exhibit original and often unforeseen properties. One of the greatest advantages of these nano-systems is that their electronic and optical properties can be controlled, not only by the material's inherent features, but also by the sample's size, shape, and topology. This flexibility makes them ideal for applications in several fields, ranging from electronics and optelectronics to biology and medicine. However, in order to design nanoelectronic devices, a clear understanding of their fundamental properties is needed.

Physics Briefs

Physics Briefs
Physikalische Berichte

by Anonim

  • Publisher : Unknown Publisher
  • Release : 1992
  • Pages : 329
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Primary Photoexcitations in Conjugated Polymers: Molecular Exciton Versus Semiconductor Band Model

Primary Photoexcitations in Conjugated Polymers: Molecular Exciton Versus Semiconductor Band Model
A Book

by Niyasi Serdar Sariciftci

  • Publisher : World Scientific
  • Release : 1998-01-02
  • Pages : 640
  • ISBN : 9814518212
  • Language : En, Es, Fr & De
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This volume concentrates on the controversy within the scientific community over how to explain, understand and describe the photophysics/photochemistry of this class of materials. This controvery is of such a fundamental nature that the solution of the problem might be in a unification of the semiconductor and metal physics with the molecular quantum chemistry. Thus, a wide-ranging and comprehensive discussion of this very crucial issue has not been written down yet. This volume brings together the most prominent scientists specializing in this controversial topic. Each contributor addresses the opponents' arguments. After short introductory chapters, the contributors discuss their own speciality area and compare the results with both models and explain their position on why one of the models is more appropriate. Special emphasis is given to comparative discussions with other conjugated molecular systems as well as inorganic semiconductors. Contents:Correlations in Conjugated Polymers (Z G Soos et al.)Nature of the Primary Photo-Excitations in Poly(Arylene-Vinylenes): Bound Neutral Excitons or Charged Polaron Pairs (A J Heeger)Excitons in Conjugated Polymers (H Bässler)Intramolecular Excitons and Intermolecular Polaron Pairs as Primary Photoexcitations in Conjugated Polymers (E Conwell)Excitonic Effects in the Linear and Nonlinear Optical Properties of Conjugated Polymers (S Abe)Bound Polaron Pair Formation in Poly(Phenylenevinylenes) (L Rothberg)Luminescence Efficiency and Time-Dependence: Insights into the Nature of the Emitting Species in Conjugated Polymers (I D W Samuel et al.)Mechanism of Carrier Generation in the Class of Low Mobility Materials: Transient Photoconductivity and Photoluminescence at High Electric Fields (D Moses)Photoluminescence Spectroscopy as a Probe for Disorder and Excitonic Effects in Organic and Inorganic Semiconductors (U Lemmer & E O Göbel)Spectroscopy on Conjugated Polymer Devices (V Dyakonov)Spin-Dependent Recombination Processes in π-Conjugated Polymers (P A Lane et al.)Electroabsorption Spectroscopy on π-Conjugated Polymers (G Weiser & Á Horváth)The Role of Excitons in Charge Carrier Production in Polysilanes (R G Kepler & Z G Soos)Theory of Excitons and Biexcitons in π-Conjugated Polymers (S Mazumdar & M Chandross)Ultrafast Relaxation in Conjugated Polymers (T Kobayashi)Are Bipolarons Photogenerated in PPV? (E Conwell)Do Bipolarons Exist in Doped or Photoirradiated Conjugated Polymers? — An Analysis Based on Studies of Model Compounds (Y Furukawa)Photoexcitations in Conjugated Oligomers (R A J Janssen)Excited States in Poly(Paraphenylenevinylene) and Related Oligomers: Theoretical Investigation of Their Relation to Electrical and Optical Properties (D Beljonne et al.)Ultrafast Photoinduced Absorption in Nondegenerate Ground-State Conjugated Polymers: Signatures of Excited States (D W McBranch & M B Sinclair) Readership: Researchers and graduate students in the field of physics and chemistry of conjugated, conducting polymers and physical chemistry. keywords:

Computational Molecular Dynamics: Challenges, Methods, Ideas

Computational Molecular Dynamics: Challenges, Methods, Ideas
Proceeding of the 2nd International Symposium on Algorithms for Macromolecular Modelling, Berlin, May 21–24, 1997

by Peter Deuflhard,Jan Hermans,Benedict Leimkuhler,Alan E. Mark,Sebastian Reich,Robert D. Skeel

  • Publisher : Springer Science & Business Media
  • Release : 2012-12-06
  • Pages : 494
  • ISBN : 3642583601
  • Language : En, Es, Fr & De
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On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics. The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.