This introduction to quantum field theory (QFT) is written by a physical chemist for physical chemists, chemical physicists, and other non-physicists with knowledge of quantum theory but who want to explore ways in which they might use the power of QFT in their investigations. This book starts where many graduate courses in quantum theory that are offered to chemistry students leave off and first develops some of the necessary tools, such as Fock algebra, which is applied to solving the quantum oscillator problem. Then it is used to develop the theory of coherent states, time-dependent perturbation theory, and the treatment of bosons and fermions. With this background, the QFT of a perfect gas is derived and a connection to thermodynamics is demonstrated. Application to imperfect gases provides a new approach to modelling gas-liquid phase transitions. The book concludes with photons and their interaction with molecular ensembles, and brings us to full circle by deriving the blackbody radiation law, which started it all. The power of the QFT methodology and the breadth of its applications should fascinate the reader as it has the author.

This book provides a comprehensive study of the symmetry and geometry of crystals and molecules, starting from first principles. The pre-knowledge assumed is mathematics and physical science to about A-level; additional mathematical topics are discussed in appendices. It is copiously illustrated, including many stereoviews, with instructions both for stereoviewing and for constructing a stereoviewer. Problems for each chapter are provided, with fully worked tutorial solutions. A suite of associated computer programs has been devised and placed on-line, for assisting both the study of the text and the solutions of the problems. The programs are easily executed, and instructions are provided in the text and on the monitor screen. The applicability of symmetry in everyday life as well as in science is stressed. Point groups and space groups are first discussed and derived in a semi-analytical manner, and later by use of group theory. The basic principles of group theory are discussed, together with applications to symmetry, chemical bonding and aspects of vibrations of molecules and crystals. The book is addressed to those studying the physical sciences and meeting the subject for the first time, and it brings the reader to a level of appreciation for the definitive works produced by the International Union of Crystallography, such as the International Tables for X-ray Crystallography, Vol 1 (1965) and the International Tables for Crystallography, Vol A (2006).

This book is aimed at advanced undergraduates, graduate students and other researchers who possess an introductory background in materials physics and/or chemistry, and an interest in the physical and chemical properties of novel materials, especially transition metal oxides. New materials often exhibit novel phenomena of great fundamental and technological importance. Contributing authors review the structural, physical and chemical properties of notable 4d- and 5d-transition metal oxides discovered over the last 10 years. These materials exhibit extraordinary physical properties that differ significantly from those of the heavily studied 3d-transition metal oxides, mainly due to the relatively strong influence of the spin- orbit interaction and orbital order in 4d- and 5d materials. The immense growth in publications addressing the physical properties of these novel materials underlines the need to document recent advances and the current state of this field. This book includes overviews of the current experimental situation concerning these materials.

`Non-equilibrium Thermodynamics and Statistical Mechanics: Foundations and Applications' builds from basic principles to advanced techniques, and covers the major phenomena, methods, and results of time-dependent systems. It is a pedagogic introduction, a comprehensive reference manual, and an original research monograph. Uniquely, the book treats time-dependent systems by close analogy with their static counterparts, with most of the familiar results of equilibrium thermodynamics and statistical mechanics being generalized and applied to the non-equilibrium case. The book is notable for its unified treatment of thermodynamics, hydrodynamics, stochastic processes, and statistical mechanics, for its self-contained, coherent derivation of a variety of non-equilibrium theorems, and for its quantitative tests against experimental measurements and computer simulations. Systems that evolve in time are more common than static systems, and yet until recently they lacked any over-arching theory. 'Non-equilibrium Thermodynamics and Statistical Mechanics' is unique in its unified presentation of the theory of non-equilibrium systems, which has now reached the stage of quantitative experimental and computational verification. The novel perspective and deep understanding that this book brings offers the opportunity for new direction and growth in the study of time-dependent phenomena. 'Non-equilibrium Thermodynamics and Statistical Mechanics' is an invaluable reference manual for experts already working in the field. Research scientists from different disciplines will find the overview of time-dependent systems stimulating and thought-provoking. Lecturers in physics and chemistry will be excited by many fresh ideas and topics, insightful explanations, and new approaches. Graduate students will benefit from its lucid reasoning and its coherent approach, as well as from the chem12physof mathematical techniques, derivations, and computer algorithms.

Silicon, the basic material for a multibillion-dollar industry, is the most widely researched and applied semiconductor, and its surfaces are the most thoroughly studied of all semiconductor surfaces. Silicon Surfaces and Formation of Interfaces may be used as an introduction to graduate-level physics and chemical physics. Moreover, it gives a specialized and comprehensive description of the most common faces of silicon crystals as well as their interaction with adsorbates and overlayers. This knowledge is presented in a systematic and easy-to-follow way. Discussion of each system is preceded by a brief overview which categorizes the features and physical mechanisms before the details are presented. The literature is easily available, and the references am numerous and organized in tables, allowing a search without the need to browse through the text.

Though this volume focuses on a scientific understanding of physics on the atomistic and mesoscopic levels, it also highlights existing and potential links between basic research in surface science and applications in the silicon industry. It will be valuable to anyone writing a paper, thesis, or proposal in the field of silicon surfaces.

Volume 37 is concerned with the use and role of modelling in chemical kinetics and seeks to show the interplay of theory or simulation with experiment in a diversity of physico-chemical areas in which kinetics measurements provide significant physical insight. Areas of application covered within the volume include electro- and interfacial chemistry, physiology, biochemistry, solid state chemistry and chemical engineering.
A leading contributor to this general area has been Professor W. John Albery, FRS, to whom the contributors and editors dedicate this book.

Over the course of nearly half a century, Sam Edwards has led the field of condensed matter physics into new directions, ranging from the electronic and statistical properties of disordered materials to the mechanical properties of granular materials. Along the way, he has provided seminal contributions to fluid mechanics, polymer science, surface science and statistical mechanics. This volume celebrates the immense scope of his influence by presenting a collection of original articles by recognized leaders in theoretical physics, including two Nobel Laureates and a Fields Medalist, which describe the genesis, evolution and future prospects of the various sub-fields of condensed matter theory, along with reprints of a selection of Edwards' seminal papers that helped give birth to the subject. 'Stealing the Gold', Edwards' favourite caricature of the relationship between theoretical physicists and Nature, will be of singular interest to graduate students looking for an overview of some of the most exciting areas of theoretical physics, as well as to researchers in condensed matter physics looking for a comprehensive, broad and uniquely incisive snapshot of their subject at the dawn of the 21st century.

The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.

This volume contains the collected works of the eminent chemist and physicist Lars Onsager, one of the most influential scientists of the 20th Century. The volume includes Onsager's previously unpublished PhD thesis, a biography by H C Longuet-Higgins and M E Fisher, an autobiographical commentary, selected photographs, and a list of Onsager discussion remarks in print. Onsager's scientific achievements were characterized by deep insights into the natural sciences. His two best-known accomplishments are his reciprocal relations for irreversible processes, for which he received the 1968 Nobel Prize in Chemistry, and his explicit solution of the two-dimensional Ising model, a mathematical tour de force that created a sensation when it appeared. In addition, he made significant theoretical contributions to other fields, including electrolytes, colloids, superconductivity, turbulence, ice, electrons in metals, and dielectrics. In this volume, Onsager's contributions are divided into the following fields: irreversible processes; the Ising model; electrolytes; colloids; helium II and vortex quantization; off-diagonal long-range order and flux quantization; electrons in metal; turbulence; ion recombination; fluctuation theory; dielectrics; ice and water; biology; Mathieu functions. The different fields are evaluated by leading experts. The commentators are P W Anderson, R Askey, A Chorin, C Domb, R J Donnelly, W Ebeling, J-C Justice, H N W Lekkerkerker, P Mazur, H P McKean, J F Nagle, T Odijk, A B Pippard, G Stell, G H Weiss, and C N Yang.

Kinetic Theory of granular Gases provides an introduction to the rapidly developing theory of dissipative gas dynamics as it has been developed mainly during the past decade. The book is aimed at readers from the advanced undergraduate level onwards and leads up to the present state of research. The text is self-contained, in the sense that no mathematical or physical knowledge is required that goes beyond standard undergraduate physics courses. The material is adequate for a one-semester course and contains chapter summaries as well as exercises with detailed solutions. Special emphasis is put on a microscopically consistent description of pairwise particle collisions which leads to an impact-velocity dependent coefficient of restitution. The description of the many-particle system, based on the Boltzmann equation, starts with the derivation of the velocity distribution function, followed by the investigation of self-diffusion and Brownian motion. Using hydrodynamical methods, transport processes and self-organized structure formulation are studies. An appendix gives a brief introduction to event-driven molecular dynamics. A second appendix describes a novel mathematical technique for the derivation of the kinetic properties which allows for the application of computer algebra. The book is accompanied by a web page where the molecular dynamics program as well as the computer-algebra programs are provided.

The crystallization of proteins and nucleic acids and/or their complexes has become more highly automated but is still often a trial and error based approach. In parallel, a number of X-ray diffraction based techniques have been developed which explain the physical reasons limiting the resulting crystallographic data and thus show how that data may be improved. Crystal growth is also pivotal in neutron crystallography, which establishes the hydrogen and hydration aspects. Thus this book is aimed at addressing the science behind obtaining the best and most complete structural data possible for biological macromolecules, so that the detailed structural biology and chemistry of these important molecules emerge. Crystal imperfections such as twinning and lattice disorders, as well as multiple crystal situations, and their possible remedies, are also described. The small crystal frontier in micro-crystal crystallography, crystallites in powders and finally down to the proposed single molecule structure determination of X-ray lasers are covered. Overall this interdisciplinary book will interest crystal growers, X-ray and neutron physicists and the biological crystallographers, including graduate students.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued.

Key features: Supported by the latest research and based on the state-of-the-art computational methods in high-accuracy computational spectroscopy of molecules Authored by an authority in the field Accessible to both experts and non-experts working in the area of computational and experimental spectroscopy, in addition to graduate students

A stand-alone, monograph present results on mechanochemical synthesis of nanostructured composite materials on the base of inorganic and organic components The book summarizes and systematizes the results of a fundamentally new complex approach to the creation of composite polymer-inorganic systems by mechanochemical treatment, both as a result of the traditional approach with the use of dynamic mills (mechanical reactors) and ultrasonic action on powder mixtures In addition, the book will present a chapter that will focus on the method of mechanochemical preparation of materials for high-energy systems, which are the most promising, since it allows the most productive management of the formation of new structural compositions that increase the energy intensity of the system.

Electroinduced Drift of Neutral Charge Clusters in Salt Solutions presents studies of the processes accompanying the effect of periodic electric and magnetic fields on salt solutions in polar dielectric liquids. The authors explain phenomena from a physical point of view, without theoretical constructions and mathematical calculations. This is done in order to make the book accessible to a wide audience and to help the reader navigate in a multilateral topic that is touched upon when studying processes that occur in liquid media under the external influence of an electromagnetic nature. Additional Features: Explores the phenomenon of selective drift of solvated ions in polar dielectric liquids Applies general principles of electricity and magnetism to describe experimental results Demonstrates how small perturbations of the equilibrium distribution determine not the corrections to the effects but the effects themselves Approaches nonequilibrium molecular physics as a science of physical and chemical processes This book will be useful to specialists, engineers and graduate students, especially those recording and transmitting information in liquid media.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued.

This book is devoted to the problems of oxidation chemical reactions and addresses bimodal reaction sequences. Chemical reactions of oxidation, occurring under certain conditions and in multicomponent systems are complex processes. The process of the oxidation essentially changes in the presence and contact of the solid substances with reactants. The role of solid substances and the appearance of this phenomenon in oxidation reaction are discussed. The reader will understand the "driving forces" of this phenomenon and apply it in practice. Written for chemists, physicists, biologists and engineers working in the domain of oxidation reactions. Key Selling Features: Covers the historical background, modern state of the art, and perspectives in investigations of the coupling between heterogeneous and homogeneous reactions Discusses the feasible pathways of the coupling of heterogeneous and homogeneous reactions in oxidation in man-made and natural chemical systems Addresses the abundance, peculiarities and mechanisms of the bimodal reaction sequences in oxidation with dioxygen in recent decades Discusses the existence of the bimodal reaction sequences in chemical systems investigations in atmospheric chemistry and heterogeneous photocatalysis Presented in a simple concise style, accessible for both specialists and non-specialists

While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.

The primary purpose of this book is to prepare the ground for coordinated efforts aiming to answer the question: where and when life originated. The appearance of life involves three successive stages: i) the formation of chemical elements and their combination to simple molecules, which is the concern of physicists; ii) the evolution of organized complexity in biomolecules and their reactions, which falls within the field of chemistry; iii) the onset of Darwinian evolution after the appearance of the first cell-like structure, which is studied by biologists. This book focuses on the first two steps of this process with chapters exploring topics such as chemical element abundances; galaxies, galactic magnetic fields and cosmic rays; galactic chemical evolution. Key Features: Contains extensive lists of reference and additional reading. Includes new hypotheses concerning the origin of life. Combines consideration from nuclear physics, astrophysics, astro- and geochemistry. Despite its interdisciplinary nature, this book remains accessible to nonexperts, and would be a valuable companion for both experts and laypeople.

This book is an up-to-date review of the most important plasma-based techniques for material modification, from microelectronics to biological materials and from fusion plasmas to atmospheric ones. Each its technical chapters is written by long-experienced, internationally recognised researchers. The book provides a deep and comprehensive insight into plasma technology and its associated elemental processes and is illustrated throughout with excellent figures and references to complement each section. Although some of the topics covered can be traced back several decades, care has been taken to emphasize the most recent findings and expected evolution. The first time the word 'plasma' appeared in print in a scientific text related to the study of electrical discharges in gases was 1928, when Irving Langmuir published his article 'Oscillations in Ionized Gases'. It was the baptism of the predominant state of matter in the known universe (it is estimated that up to 99% of matter is plasma), although not on earth, where the conditions of pressure and temperature make normal the states of matter (solid, liquid, gas) which, in global terms, are exotic. It is enough to add energy to a solid (in the form of heat or electromagnetic radiation) to go into the liquid state, from which gas is obtained through an additional supply of energy. If we continue adding energy to the gas, we will partially or totally ionise it and reach a new state of matter, plasma, made up of free electrons, atoms and molecules (electrically neutral particles) and ions (endowed with a positive or a negative electric charge).

This book explores a wide range of energy storage devices, such as a lithium ion battery, sodium ion battery, magnesium ion battery and supercapacitors. Providing a comprehensive review of the current field, it also discusses the history of these technologies and introduces next-generation rechargeable batteries and supercapacitors. This book will serve as a valuable reference for researchers working with energy storage technologies across the fields of physics, chemistry, and engineering. Features: Edited by established authorities in the field, with chapter contributions from subject area specialists Provides a comprehensive review of field Up to date with the latest developments and research

Renewable energies have become an attractive option to overcome the energy demands in sustainable and affordable ways. It has been estimated that one-third of the total renewable energies would be generated from photovoltaics (PVs). A solar or PV cell is a device that directly converts sunlight into electricity by taking benefit of the photoelectric effect. In the third-generation solar PVs, dye-sensitized solar cells (DSSCs) are believed to be the most promising and have attracted wide attention. The optimization of a DSSC is focused on four main components: (i) metal oxide semiconductor, (ii) photosensitizer, (iii) redox couple electrolyte, and (iv) counter electrode. Among these, the counter electrode undertakes three functions: (i) as a catalyst, (ii) as a positive electrode of primary cells, and (iii) as a mirror. To obey these functions, the electrode material should have high catalytic activity, high conductivity, high reflectivity, high surface area, and electrochemical and mechanical stability. To improve the performance of DSSCs, many scientists have developed new counter electrodes made of platinum, carbon materials, transition metals, conductive polymers, and composites. This book converses the various aspects of materials for the fabrication of counter electrodes especially for the DSSCs.

Quantum mechanics is a general theory of the motions, structures, properties, and behaviors of particles of atomic and subatomic dimensions. While quantum mechanics was created in the first third of the twentieth century by a handful of theoretical physicists working on a limited number of problems, it has further developed and is now applied by a great number of people working on a vast range of problems in wide areas of science and technology. Basic Molecular Quantum Mechanics introduces quantum mechanics by covering the fundamentals of quantum mechanics and some of its most important chemical applications: vibrational and rotational spectroscopy and electronic structure of atoms and molecules. Thoughtfully organized, the author builds up quantum mechanics systematically with each chapter preparing the student for the more advanced chapters and complex applications. Additional features include the following: This book presents rigorous and precise explanations of quantum mechanics and mathematical proofs. It contains qualitative discussions of key concepts with mathematics presented in the appendices. It provides problems and solutions at the end of each chapter to encourage understanding and application. This book is carefully written to emphasize its applications to chemistry and is a valuable resource for advanced undergraduates and beginning graduate students specializing in chemistry, in related fields such as chemical engineering and materials science, and in some areas of biology.