Dynamical Processes in Condensed Molecular Systems


Book Description

This review volume provides an up-to-date review of experimental methods and theoretical approaches in the study of dynamical processes in condensed molecular systems. The experimental contributions include hole burning in glasses and in proteins, optical dephasing in glasses, photo-conductivity in polymers, energy transfer among molecules in confining spaces and electron transfer in polar solvents. The theoretical part summarizes recent advances on hole burning, hierarchical aspects of relaxation and transport in disordered systems.




Dynamical Processes In Condensed Molecular Systems - Proceedings Of The Emil-warburg Symposium


Book Description

The research on condensed molecular solids is truly interdisciplinary, spanning the range from statistical and molecular physics to solid-state-physics, chemistry, up to materials science. This Symposium on dynamical processes in condensed molecular systems highlights the most recent developments in the field, focussing on low-dimensional and non-crystalline materials, such as Langmuir-Blodgett-films, polymers and glasses. The text includes both advanced experimental techniques (hole-burning, fluorescence, short-time pulses, nonlinear spectroscopy) and also modern theoretical approches (dynamical percolation, fractals, localization).




Chemical Dynamics in Condensed Phases


Book Description

Graduate level textbook presenting some of the most fundamental processes that underlie physical, chemical and biological phenomena in complex condensed phase systems. Includes in-depth descriptions of relevant methodologies, and provides ample introductory material for readers of different backgrounds.




Quantum Dynamics of Complex Molecular Systems


Book Description

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




Chemical Dynamics in Condensed Phases


Book Description

This second edition of Chemical Dynamics in Condensed Phases provides a substantial modification and expansion of the first edition published in 2006. Nitzan offers a uniform approach to diverse problems encountered in the study of dynamical processes in condensed phase molecular systems. The textbook focuses on three themes: contextual background material, in-depth introduction of methodologies, and analysis of several key applications. These applications are among the most fundamental processes that underlie physical, chemical, and biological phenomena in complex systems. The comprehensive, advanced, and self-contained text provides the theoretical foundations for the processes affecting molecular dynamics in condensed phases that are encountered in the chemistry laboratory as well as in biology and material science research. The mathematical tools and the physical concepts necessary to develop the chemical description are provided first, followed by a detailed discussion of the fundamental chemical processes that underlie the chemical dynamics, including quantum and classical aspects of molecular motion and the interaction of molecules with the radiation field and the surrounding thermal environment. The last part of the book discusses several key processes: accumulation and relaxation of molecular energy, chemical reaction dynamics and the interplay of these dynamics with the dynamics and relaxation of the surrounding solvent, electron transfer reactions, electrode processes and molecular conduction junctions as well as molecular response to optical stimuli in solution and at dielectric interfaces. Attention is given to combining the mathematical analysis with qualitative physical understanding of the different dynamical phenomena. New to this edition is a new chapter 19 on the interaction of molecules with light at dielectric interfaces, motivated by the surge of interest in molecular plasmonics and molecular cavity electrodynamics, as well as a section relevant to this issue added to Chapter 10. Chapters on light-matter interaction and spectroscopy have been expanded to include subjects relevant to the foundation and practice of interfacial spectroscopy. Sections have also been added to include discussion of noise and fluctuations observed in single molecule spectroscopy and in molecular junction transport.




Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics


Book Description

The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.




Disorder Effects on Relaxational Processes


Book Description

The field of non-crystalline materials has seen the emergence of many challeng ing problems during its long history. In recent years, the interest in polymeric and biological disordered matter has stimulated new activities which in turn have enlarged the organic and inorganic glass community. The current research fields and recent progress have extended our knowledge of the rich phenomenol ogy of glassy systems, where the role of disorder is fundamental for the underlying microscopic dynamics. In addition, despite the lack of a unified theory, many interesting theoretical models have recently evolved. The present volume offers the reader a collection of topics representing the current state in the understanding of disorder effects as well as a survey of the basic problems and phenomena involved. The task of compiling a book devoted to disordered systems has benefited much from a seminar organized by the W.-E. Heraeus Foundation in Bad Honnef in April 1992, where we had the opportunity to discuss the project with most of the authors. Here we wish to thank the Heraeus Foundation for their support, and the authors and Springer-Verlag, especially Dr. Marion Hertel, for the pleasant cooperation.




Dynamical Processes in Molecular Physics, Lectures from the first EPS Southern European School of Physics, Avila, September 1991


Book Description

In Dynamical Processes in Molecular Physics, leading European lecturers outline the fundamental aspects of dynamical processes in molecular physics. The papers included in this book make a valuable contribution to the teaching of molecular physics as well as discussing advances in this area. It covers a wide range of interesting and relevant topics, both experimental and theoretical. Physicists and physical chemists at graduate and research level will find this an invaluable reference.




Charge and Energy Transfer Dynamics in Molecular Systems


Book Description

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.




Structure and Dynamics of Molecular Systems


Book Description

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.