Advances in Chemical Physics Series

Based on a symposium on lasers, molecules, and methods held at the Los Alamos Center for Nonlinear Studies held in July 1986. Contributors present recent advances in theoretical and experimental research on a diversity of dynamical and optical phenomena resulting from the interactions of laser beams with molecules. They describe the predictive results of sophisticated mathematical models, the equipment involved in experiments, and reveal new insights into molecular structure and behavior.

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

Experts in the field cover a wide range of theoretical and practical aspects of photodissociation and photoionization. This complete survey covers everything from laser isotope separation at the applied end to current theories of the quantum mechanics of photodissociation.

Since the first attempts to model proteins on a computer began almost thirty years ago, our understanding of protein structure and dynamics has dramatically increased. Spectroscopic measurement techniques continue to improve in resolution and sensitivity, allowing a wealth of information to be obtained with regard to the kinetics of protein folding and unfolding, and complementing the detailed structural picture of the folded state. Concurrently, algorithms, software, and computational hardware have progressed to the point where both structural and kinetic problems may be studied with a fair degree of realism. Despite these advances, many major challenges remain in understanding protein folding at both the conceptual and practical levels. Computational Methods for Protein Folding seeks to illuminate recent advances in computational modeling of protein folding in a way that will be useful to physicists, chemists, and chemical physicists. Covering a broad spectrum of computational methods and practices culled from a variety of research fields, the editors present a full range of models that, together, provide a thorough and current description of all aspects of protein folding. A valuable resource for both students and professionals in the field, the book will be of value both as a cutting-edge overview of existing information and as a catalyst for inspiring new studies. Computational Methods for Protein Folding is the 120th volume in the acclaimed series Advances in Chemical Physics, a compilation of scholarly works dedicated to the dissemination of contemporary advances in chemical physics, edited by Nobel Prize-winner Ilya Prigogine.

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

Presenting a wide-ranging view of current developments in protein research, the papers in this collection, each written by highly regarded experts in the field, examine various aspects of protein structure, functions, dynamics, and experimentation. Topics include dynamical simulation methods, the biological role of atom fluctuations, protein folding, influences on protein dynamics, and a variety of analytical techniques, such as X-ray diffraction, vibrational spectroscopy, photodissociation and rebinding kinetics. This is part of a series devoted to providing general information on a wide variety of topics in chemical physics in order to stimulate new research and to serve as a text for beginners in a particular area of chemical physics.

An up-to-date account of this cutting-edge research in a consistent and understandable framework, of special interest to experts in other areas of electronic structure and/or quantum many-body theory. It will serve equally well as a self-contained guide to learning about reduced density matrices either through self-study or in a classroom as well as an invaluable resource for understanding the critical advancements in the field.

This text is the first of a two-volume work on molecule surface interactions addressing topics in chemical physics, surface science, physical chemistry, materials science, and electronics and semiconductor manufacture. As with the other titles in the Advances in Chemical Physics series, the chapters are written by an international group of contributors and cover a wide range of important issues in the field.

This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 130 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.

Significant advances have occurred in the field since the previous edition, including advances in light squeezing, single photon optics, phase conjugation, and laser technology. The laser is essentially responsible for nonlinear effects and is extensively used in all branches of science, industry, and medicine.

The new edition will provide the sole comprehensive resource available for non-linear optics, including detailed descriptions of the advances over the last decade from world-renowned experts.

The new edition will provide the sole comprehensive resource available for non-linear optics, including detailed descriptions of the advances over the last decade from world-renowned experts.

The first unified treatment of experimental and theoreticaladvances in low-temperature chemistry Chemical Dynamics at LowTemperatures is a landmark publication. For the first time, thecumulative results of twenty years of experimental and theoreticalresearch into low-temperature chemistry have been collected andpresented in a unified treatment. The result is a text/referencethat both offers an overview of the subject and contains sufficientdetail to guide practicing researchers toward fertile ground forfuture research. Topics covered include: * Developmental history * Formulation of general problems and the main approximations usedto solve them * Specific features of tunneling chemical dynamics * One-dimensional tunneling in the path integral formalism * Special problems of two- and multidimensional tunneling * An extended presentation of pertinent experimental results

Edited by Nobel Prize-winner Ilya Prigogine and renowned authority Stuart A. Rice, the Advances in Chemical Physics series provides a forum for critical, authoritative evaluations in every area of the discipline. In a format that encourages the expression of individual points of view, experts in the field present comprehensive analyses of subjects of interest. This stand-alone, special topics volume, edited by Gert D. Billing of the University of Copenhagen and Michael Baer of the Soreq Nuclear Research Center in Yavne, Israel, reports recent advances on the role of degenerate states in chemistry. Volume 124 collects innovative papers on "Complex States of Simple Molecular Systems," "Electron Nuclear Dynamics," "Conical Intersections and the Spin-Orbit Interaction," and many more related topics. Advances in Chemical Physics remains the premier venue for presentations of new findings in its field.

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

an integrated approach to electron transfer phenomena This two-part stand-alone volume in the prestigious Advances in Chemical Physics series provides the most comprehensive overview of electron transfer science today. It draws on cutting-edge research from diverse areas of chemistry, physics, and biology-covering the most recent developments in the field, and pointing to important future trends. This second volume offers the following sections: * Solvent control, including ultrafast solvation dynamics and related topics * Ultrafast electron transfer and coherence effects * Molecular electronics * Electron transfer and exciplex chemistry * Biomolecules-from electron transfer tubes to kinetics in a DNA environment Part One addresses the historical perspective, electron transfer phenomena in isolated molecules and clusters, general theory, and electron transfer kinetics in bridged compounds. Electron transfer science has seen tremendous progress in recent years. Technological innovations, most notably the advent of femtosecond lasers, now permit the real-time investigation of intramolecular and intermolecular electron transfer processes on a time scale of nuclear motion. New scientific information abounds, illuminating the processes of energy acquisition, storage, and disposal in large molecules, clusters, condensed phase, and biophysical systems. Electron Transfer: From Isolated Molecules to Biomolecules is the first book devoted to the exciting work being done in nonradiative electron transfer dynamics today. This two-part edited volume emphasizes the interdisciplinary nature of the field, bringing together the contributions of pioneers in chemistry, physics, and biology. Both theoretical and experimental topics are featured. The authors describe modern approaches to the exploration of different systems, including supersonic beam techniques, femtosecond laser spectroscopy, chemical syntheses, and methods in genetic and chemical engineering. They examine applications in such areas as supersonic jets, solvents, electrodes, semi- conductors, respiratory and enzymatic protein systems, photosynthesis, and more. They also relate electron transfer and radiationless transitions theory to pertinent physical phenomena, and provide a conceptual framework for the different processes. Complete with over two hundred illustrations, Part Two opens with solvent control issues, including electron transfer reactions and ultrafast solvation dynamics. Other topics include ultrafast electron transfer and coherence effects, molecular electronics, and electron transfer in exciplex chemistry. This volume concludes with a section on biomolecules-from electron transfer tubes to experimental electron transfer and transport in DNA. Timely, comprehensive, and authoritative, Electron Transfer: From Isolated Molecules to Biomolecules is an essential resource for physical chemists, molecular physicists, and researchers working in nonradiative dynamics today.

The Advances in Chemical Physics series—the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Electron Spin Resonance Studies of Supercooled Water Water-like Anomalies of Core-Softened Fluids: Dependence on the Trajectories in (P, ϱ, T) Space Water Proton Environment: A New Water Anomaly at Atomic Scale? Polymorphism and Anomalous Melting in Isotropic Fluids Computer Simulations of Liquid Silica: Water-Like Thermodynamic and Dynamic Anomalies, and the Evidence for Polyamorphism

Continuing the tradition of the Advances in Chemical Physicsseries, Volume 101: Chemical Reactions and Their Control on theFemtosecond Time Scale details the extraordinary findings reportedat the XXth Solvay Conference on Chemistry, held at the UniversiteLibre de Bruxelles, Belgium, from November 28 to December 2, 1995.This new volume discusses the remarkable opportunities afforded bythe femtosecond laser, focusing on the host of phenomena this laserhas made it possible to observe. Examining molecules on theintrinsic time scale of their vibrations as well as theirdissociative motions and electronic excitations represents onlypart of a broadened scientific window made possible by thefemtosecond laser. The assembled studies, with follow-up discussions, reflect the manyspecialties and perspectives of the Conference's 65 participants aswell as their optimism concerning the breadth of scientificdiscovery now open to them. The studies shed light on the laser'senhanced technical reach in the area of coherent control ofchemical reactions as well as of more general quantum systems. Thetheoretical fundamentals of femto-chemistry, the unique behavior ofthe femtosecond laser, and a view toward future technologicalapplications were also discussed: * Femtochemistry: chemical reaction dynamics and their control * Coherent control with femtosecond laser pulses * Femtosecond chemical dynamics in condensed phases * Control of quantum many-body dynamics * Experimental observation of laser control * Solvent dynamics and RRKM theory of clusters * High-resolution spectroscopy and intramolecular dynamics * Molecular Rydberg states and ZEKE spectroscopy * Transition-state spectroscopy and photodissociation * Quantum and semiclassical theories of chemical reactionrates. A fascinating and informative status report on the cutting-edgechemical research made possible by the femtosecond laser, ChemicalReactions and Their Control on the Femtosecond Time Scale is anindispensable volume for professionals and students alike. The femtosecond laser and chemistry's extraordinary new frontier ofmolecular motions observed on the scale of a quadrillionth of asecond. Research chemists have only tapped the surface of the spectacularreach and precision of the femtosecond laser, a technology that hasallowed them to observe the dynamics of molecules on the intrinsictime scale of their vibrations, dissociative motions, andelectronic excitations. Volume 101 in the Advances in ChemicalPhysics series, Chemical Reactions and Their Control on theFemtosecond Time Scale details their extraordinary findings,presented at the XXth Solvay Conference on Chemistry, inBrussels. The studies reflect the work, in part, of the Conference's 65participants, including many prominent contributors. Together theyshed light on the laser's enhanced technical range in the area ofcoherent control of chemical reactions as well as of more generalquantum systems. The theoretical fundamentals of femtochemistry,the unique behavior of the femtosecond laser, and a view towardfuture technological applications were also discussed. An exceptionally up-to-date examination of the chemical analysesmade possible by the femtosecond laser, Chemical Reactions andTheir Control on the Femtosecond Time Scale is an importantreference for professionals and students interested in enhancingtheir research capabilities with this remarkable tool. From 1993 to 1996, she worked with Dr. P. Gaspard at the UniversiteLibre de Bruxelles, Belgium, on the application of newsemiclassical techniques to elementary chemical reaction processes.

In Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations J. Ilja Siepmann Random Number Generators for Parallel Applications Ashok Srinivasan, David M. Ceperley and Michael Mascagni Between Classical and Quantum Monte Carlo Methods: "Variational" QMC Dario Bressanini and Peter J. Reynolds Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics M. P. Nightingale and C.J. Umrigar Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties Robert Q. Topper Monte Carlo Sampling for Classical Trajectory Simulations Gilles H. Peslherbe Haobin Wang and William L. Hase Monte Carlo Approaches to the Protein Folding Problem Jeffrey Skolnick and Andrzej Kolinski Entropy Sampling Monte Carlo for Polypeptides and Proteins Harold A. Scheraga and Minh-Hong Hao Macrostate Dissection of Thermodynamic Monte Carlo Integrals Bruce W. Church, Alex Ulitsky, and David Shalloway Simulated Annealing-Optimal Histogram Methods David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems Juan J. de Pablo and Fernando A. Escobedo Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria John Valleau Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines David A. Kofke Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids J. Ilja Siepmann Reactive Canonical Monte Carlo J. Karl Johnson New Monte Carlo Algorithms for Classical Spin Systems G. T. Barkema and M.E.J. Newman

an integrated approach to electron transfer phenomena This two-part stand-alone volume in the prestigious Advances in Chemical Physics series provides the most comprehensive overview of electron transfer science today. It draws on cutting-edge research from diverse areas of chemistry, physics, and biology-covering the most recent developments in the field, and pointing to important future trends. This initial volume includes: * A historical perspective spanning five decades * A review of concepts, problems, and ideas in current research * Electron transfer in isolated molecules and in clusters * General theory, including useful algorithms * Spectra and electron transfer kinetics in bridged compounds The second volume covers solvent control, ultrafast electron transfer and coherence effects, molecular electronics, electron transfer and chemistry, and biomolecules. Electron transfer science has seen tremendous progress in recent years. Technological innovations, most notably the advent of femtosecond lasers, now permit the real-time investigation of intramolecular and intermolecular electron transfer processes on a time scale of nuclear motion. New scientific information abounds, illuminating the processes of energy acquisition, storage, and disposal in large molecules, clusters, condensed phase, and biophysical systems. Electron Transfer: From Isolated Molecules to Biomolecules is the first book devoted to the exciting work being done in nonradiative electron transfer dynamics today. This two-part edited volume emphasizes the interdisciplinary nature of the field, bringing together the contributions of pioneers in chemistry, physics, and biology. Both theoretical and experimental topics are featured. The authors describe modern approaches to the exploration of different systems, including supersonic beam techniques, femtosecond laser spectroscopy, chemical syntheses, and methods in genetic and chemical engineering. They examine applications in such areas as supersonic jets, solvents, electrodes, semi- conductors, respiratory and enzymatic protein systems, photosynthesis, and more. They also relate electron transfer and radiationless transitions theory to pertinent physical phenomena, and provide a conceptual framework for the different processes. Complete with over two hundred illustrations, Part One reviews developments in the field since its inception fifty years ago, and discusses electron transfer phenomena in both isolated molecules and in clusters. It outlines the general theory, exploring areas of the control of kinetics, structure-function relationships, fluctuations, coherence, and coupling to solvents with complex spectral density in different types of electron transfer processes. Timely, comprehensive, and authoritative, Electron Transfer: From Isolated Molecules to Biomolecules is an essential resource for physical chemists, molecular physicists, and researchers working in nonradiative dynamics today.

State-Selected and State-to-State Ion-Molecules Reaction Dynamics details the recent experimental and theoretical accomplishments in the field to date by some of its foremost researchers and theorists. Divided into two parts, each of which separately describe the experimental and theoretical aspects of the field, State-Selected and State-to-State Ion-Molecule Reaction Dynamics is an accessible, well organized look at a highly useful and emerging chemical specialty. Part 1, :Experiment," contains eight in-depth studies, which illustrate the key experimental work being done in the field today: Chapter 1 provide a comprehensive review of the theory and application of inhomogeneous rf fields for the study of the dynamics of low-energy ion-molecules processes Chapter 2 describes the application of multiphoton ionization (MPI) for the preparation of reactant ion states Chapter 3 reviews the application of MPI schemes for state specific cross-section measurements involving transition metal cations Chapter 4 describes the development of the threshold photoelectron secondary ion coincidence (TESICO) method Chapter 5 presents the conceptual and practical aspects of a multicoincidence technique Chapter 6 details the experimental results obtained using the photoionization and differential reactivity methods Chapter 7 reviews the several recent crossed beam studies of charge transfer and collision-induced dissociation systems involving atomic and molecular ions Chapter 8 is a survey of 15 years of high resolution crossed beam scattering of protons with atoms, diatoms, and poly-atomic molecules State-Selected and State-to-State Ion-Molecule Reaction Dynamics, Part 1: Experiment offers professionals a true state-of-the-science look at this fascinating and increasingly influential subject.

The Advances in Chemical Physics series—the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Multidimensional Incoherent Time-Resolved Spectroscopy and Complex Kinetics (Mark A. Berg) Complex Multiconfigurational Self-Consistent Field-Based Methods to Investigate Electron-Atom/Molecule Scattering Resonances (Kousik Samanta and Danny L. Yeager) Determination of Molecular Orientational Correlations in Disordered Systems from Diffraction Data (Szilvia Pothoczki, László Temleitner, and László Pusztai) Recent Advances in Studying Mechanical Properties of DNA (Reza Vafabakhsh, Kyung Suk Lee, and Taekjip Ha) Viscoelastic Subdiffusion: Generalized Langevin Equation Approach (Igor Goychuk) Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics (Xiongwu Wu, Ana Damjanovic, and Bernard R. Brooks)

Prigogine and Rice's highly acclaimed series, Advances in Chemical Physics, provides a forum for critical, authoritative reviews of current topics in every area of chemical physics. Edited by J.K. Vij, this volume focuses on recent advances in liquid crystals with significant, up-to-date chapters authored by internationally recognized researchers in the field.

This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.

Advances in Chemical Physics is the only series of volumes available that explores the cutting edge of research in chemical physics. This is the only series of volumes available that presents the cutting edge of research in chemical physics. Includes contributions from experts in this field of research. Contains a representative cross-section of research that questions established thinking on chemical solutions. Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics.

Discover the experimental and theoretical developments in optical single-molecule spectroscopy that are changing the ways we think about molecules and atoms The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This latest volume explores the advent of optical single-molecule spectroscopy, and how atomic force microscopy has empowered novel experiments on individual biomolecules, opening up new frontiers in molecular and cell biology and leading to new theoretical approaches and insights. Organized into two parts—one experimental, the other theoretical—this volume explores advances across the field of single-molecule biophysics, presenting new perspectives on the theoretical properties of atoms and molecules. Single-molecule experiments have provided fresh perspectives on questions such as how proteins fold to specific conformations from highly heterogeneous structures, how signal transductions take place on the molecular level, and how proteins behave in membranes and living cells.This volume is designed to further contribute to the rapid development of single-molecule biophysics research. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

The latest in a series providing chemical physicists with a forum for critical, authoritative evaluations of advances in every area of the discipline, this stand-alone volume focuses on using high resolution molecular spectroscopy to arrive at global and accurate Vibration Hamiltonians.

It is difficult to imagine how our highly evolved technological society would function, or how life would even exist on our planet, if polymers did not exist. The intensive study of polymeric systems, which has been under way for several decades, has recently yielded new insights into the properties of assemblies of these complex molecules and the physical principles that govern their behavior. These developments have included new concepts to describe aspects of the many body behavior in these systems, microscopic analyses that bring our understanding of these systems much closer to our understanding of simple liquids and solids, and the discovery of novel chemistry that these molecules can catalyze. This special topic volume of Advances in Chemical Physics surveys a number of these recent accomplishments. Supplemented with more than 250 illustrations, it provides a significant, up-to-date selection of papers by inter-nationally recognized researchers. Topics include: * Theory of Polyelectrolyte Solutions * Star Polymers: Experiment, Theory, and Simulation * Tethered Polymer Layers * Living Polymers * Transport and Kinetics in Electroactive Polymers Self-contained, authoritative, and timely, Polymeric Systems makes the cutting edge of polymer research available to scientists in every branch of chemical physics. Contributors to POLYMERIC SYSTEMS JEAN-LOUIS BARRAT, Departement de Physique des Materiaux, Universite Claude Bernard-Lyon l, France A. BAUMGARTNER, Institut fur Festkorperforschung, Germany M. A. CARIGNANO, Department of Chemistry, Purdue University, West Lafayette, Indiana LEWIS J. FETTERS, Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey SANDRA C. GREER, Department of Chemical Engineering, University of Maryland at College Park GARY S. GREST, Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey JOHN S. HUANG, Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey JEAN-FRANCOIS JOANNY, Institut Charles Sadron, France MICHAEL E. G. LYONS, Electroactive Polymer Research Group, Physical Chemistry Laboratory, University of Dublin, Ireland M. MUTHUKUMAR, Department of Polymer Science, University of Massachusetts, Amherst, Massachusetts DIETER RICHTER, Institut fur Festkorperforschung, Germany I. SZLEIFER, Department of Chemistry, Purdue University, West Lafayette, Indiana

The Matching Method for Asymptotic Solutions in Chemical PhysicsProblems by A. M. Il'in, L. A. Kalyakin, and S. I.Maslennikov Singularly Perturbed Problems with Boundary and Interior Layers:Theory and Application by V. F. Butuzov and A. B. Vasilieva Numerical Methods for Singularly Perturbed Boundary Value ProblemsModeling Diffusion Processes by V. L. Kolmogorov and G. I.Shishkin An important addition to the Advances in Chemical Physics series,this volume makes available for the first time in English the workof leading Russian researchers in singular perturbation theory andits application. Since boundary layers were first introduced byPrandtl early in this century, rapid advances have been made in theanalytic and numerical investigation of these phenomena, andnowhere have these advances been more notable than in the Russianschool of singular perturbation theory. The three chapters in thisvolume treat various aspects of singular perturbations and theirnumerical solution, and represent some of the best work done inthis area: * The first chapter, "The Matching Method for Asymptotic Solutionsin Chemical Physics Problems," is concerned with the analysis ofsome singular perturbation problems that arise in chemicalkinetics. In this chapter the matching method is applied to findasymptotic solutions to some dynamical systems of ordinarydifferential equations whose solutions have multiscale timedependence. * The second chapter, "Singularly Perturbed Problems with Boundaryand Interior Layers: Theory and Application," offers acomprehensive overview of the theory and application of asymptoticapproximations for many different kinds of problems in chemicalphysics governed by either ordinary or partial differentialequations with boundary and interior layers. * The third chapter, "Numerical Methods for Singularly PerturbedBoundary Value Problems Modeling Diffusion Processes," discussesthe numerical difficulties that arise in solving the problemsdescribed in the first two chapters, and proposes rigorous criteriafor determining whether or not a numerical method is satisfactoryfor such problems. Methods satisfying these criteria are thenconstructed and applied to obtain numerical solutions to a range ofsample problems. Timely, authoritative, and invaluable to researchers in all areasof chemical physics, Singular Perturbation Problems in ChemicalPhysics is an essential resource.

Examines the intersection of quantum information and chemical physics The Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics. This volume of the series explores the latest research findings, applications, and new research paths from the quantum information science community. It examines topics in quantum computation and quantum information that are related to or intersect with key topics in chemical physics. The reviews address both what chemistry can contribute to quantum information and what quantum information can contribute to the study of chemical systems, surveying both theoretical and experimental quantum information research within the field of chemical physics. With contributions from an international team of leading experts, Volume 154 offers seventeen detailed reviews, including: Introduction to quantum information and computation for chemistry Quantum computing approach to non-relativistic and relativistic molecular energy calculations Quantum algorithms for continuous problems and their applications Photonic toolbox for quantum simulation Vibrational energy and information transfer through molecular chains Tensor networks for entanglement evolution Reviews published in Advances in Chemical Physics are typically longer than those published in journals, providing the space needed for readers to fully grasp the topic: the fundamentals as well as the latest discoveries, applications, and emerging avenues of research. Extensive cross-referencing enables readers to explore the primary research studies underlying each topic.