The embedding method was originally developed for calculating the electronic structure of surfaces and interfaces, but its flexibility has provided a powerful tool in many other areas of physics. Here, John Inglesfield, who originated the method and has been a pioneer in its usage, brings together the different aspects of embedding and its applications. This authoritative text serves both as an accessible starting point for graduate students and researchers, and as an authoritative referen...

Eagerly awaited, this second edition of a best-selling text comprehensively describes from a modern perspective the basics of x-ray physics as well as the completely new opportunities offered by synchrotron radiation. Written by internationally acclaimed authors, the style of the book is to develop the basic physical principles without obscuring them with excessive mathematics.The second edition differs substantially from the first edition, with over 30% new material, incl...

This book provides a sound foundation for understanding abstract concepts of phase and reaction equilibria (e.g. partial molar Gibbs energy, fugacity, and activity), and shows how to apply these concepts to solve practical problems using numerous clear examples. It also presents numerical methods necessary for solving real-world problems as well the basic mathematics needed, facilitating its use as a self-study reference work. In the example problems requiring MATHCAD® for the solution, th...

X-ray absorption fine structure spectroscopy (XAFS) is a powerful and versatile technique for studying structures of materials in chemistry, physics, biology and other fields. This textbook is a comprehensive, practical guide to carrying out and interpreting XAFS experiments. Assuming only undergraduate-level physics and mathematics, the textbook is ideally suited for graduate students in physics and chemistry starting XAFS-based research. It contains concise executable example programs in...

Building up gradually from first principles, this unique introduction to modern thermodynamics integrates classical, statistical and molecular approaches and is especially designed to support students studying chemical and biochemical engineering. In addition to covering traditional problems in engineering thermodynamics in the context of biology and materials chemistry, students are also introduced to the thermodynamics of DNA, proteins, polymers and surfaces. It includes over 80 detailed...

Spin Dynamics: Basics of Nuclear Magnetic Resonance, Second Edition is a comprehensive and modern introduction which focuses on those essential principles and concepts needed for a thorough understanding of the subject, rather than the practical aspects. The quantum theory of nuclear magnets is presented within a strong physical framework, supported by figures.The book assumes only a basic knowledge of complex numbers and matrices, and provides the reader with numerous wor...

Determining the structure of molecules is a fundamental skill that all chemists must learn. Structural Methods in Molecular Inorganic Chemistry is designed to help readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems.Following a general introduction to the tools and concepts in structural chemistry, the foll...

Aimed at students and researchers entering the field, this pedagogical introduction to numerical relativity will also interest scientists seeking a broad survey of its challenges and achievements. Assuming only a basic knowledge of classical general relativity, the book develops the mathematical formalism from first principles, and then highlights some of the pioneering simulations involving black holes and neutron stars, gravitational collapse and gravitational waves. The book contains 30...

Providing an up-to-date and lucid presentation of phenomena across modern advanced-level solid state physics, this new edition builds on an elementary understanding to introduce students to the key research topics with the minimum of mathematics. It covers cutting-edge topics, including electron transport and magnetism in solids. It is the first book to explain topological insulators and strongly correlated electrons. Explaining solid state physics in a clear and detailed way, it also has ...

A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry.Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutionsTakes a hands-on approach, using state of the art software packages ...

This textbook on thermodynamics is intended primarily for honours and B. Sc students majoring in physical chemistry. However, students of physics, engineering and biochemistry will also find the book relevant to their studies.Its principal features are a much shorter presentation of the laws of thermodynamics than is customary, made possible by the definition of the thermodynamic scale of temperature using only one fixed point (the triple point of water) which immediately follows the Zerot...

Taking the reader through the underlying principles of molecular translational dynamics, this book outlines the ways in which magnetic resonance, through the use of magnetic field gradients, can reveal those dynamics. The measurement of diffusion and flow, over different length and time scales, provides unique insight regarding fluid interactions with porous materials, as well as molecular organisation in soft matter and complex fluids. The book covers both time and frequency domain method...