This book is devoted to the construction of space group representations, their tabulation, and illustration of their use. Representation theory of space groups has a wide range of applications in modern physics and chemistry, including studies of electron and phonon spectra, structural and magnetic phase transitions, spectroscopy, neutron scattering, and superconductivity. The book presents a clear and practical method of deducing the matrices of all irreducible representations, including double-valued, and tabulates the matrices of irreducible projective representations for all 32 crystallographic point groups. One obtains the irreducible representations of all 230 space groups by multiplying the matrices presented in these compact and convenient to use tables by easily computed factors. A number of applications to the electronic band structure calculations are illustrated through real-life examples of different crystal structures. The book's content is accessible to both graduate and advanced undergraduate students with elementary knowledge of group theory and is useful to a wide range of experimentalists and theorists in materials and solid-state physics.

This new edition of Kovalev's renowned text (first English edition, 1965) presents all the irreducible representations (IRs) and irreducible corepresentations (ICRs) for the 230 crystallographic space groups. In order to give readers the opportunity of representing generally the entire crystallographic symmetry, the method of inducing an IR of the local groups is presented first, and then complete lists of induced representations (InRs) which allow the calculation of the microstructure of any crystal (already known or not yet discovered, but geometrically not forbidden) in any physical question. For research students and researchers in theoretical aspects of solid state physics, crystallography, and space group theory. Translated from the second Russian edition of 1987. Annotation copyright by Book News, Inc., Portland, OR

This book is by far the most comprehensive treatment of point and space groups, and their meaning and applications. Its completeness makes it especially useful as a text, since it gives the instructor the flexibility to best fit the class and goals. The instructor, not the author, decides what is in the course. And it is the prime book for reference, as material is much more likely to be found in it than in any other book; it also provides detailed guides to other sources. Much of what is taught is folklore, things everyone knows are true, but (almost?) no one knows why, or has seen proofs, justifications, rationales or explanations. (Why are there 14 Bravais lattices, and why these? Are the reasons geometrical, conventional or both? What determines the Wigner–Seitz cells? How do they affect the number of Bravais lattices? Why are symmetry groups relevant to molecules whose vibrations make them unsymmetrical? And so on). Here these analyses are given, interrelated, and in-depth. The understanding so obtained gives a strong foundation for application and extension. Assumptions and restrictions are not merely made explicit, but also emphasized. In order to provide so much information, details and examples, and ways of helping readers learn and understand, the book contains many topics found nowhere else, or only in obscure articles from the distant past. The treatment is (often completely) different from those elsewhere. At least in the explanations, and usually in many other ways, the book is completely new and fresh. It is designed to inform, educate and make the reader think. It strongly emphasizes understanding. The book can be used at many levels, by many different classes of readers — from those who merely want brief explanations (perhaps just of terminology), who just want to skim, to those who wish the most thorough understanding. Request Inspection Copy

This concise, class-tested book was refined over the authors’ 30 years as instructors at MIT and the University Federal of Minas Gerais (UFMG) in Brazil. The approach centers on the conviction that teaching group theory along with applications helps students to learn, understand and use it for their own needs. Thus, the theoretical background is confined to introductory chapters. Subsequent chapters develop new theory alongside applications so that students can retain new concepts, build on concepts already learned, and see interrelations between topics. Essential problem sets between chapters aid retention of new material and consolidate material learned in previous chapters.

This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid hamiltonians. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties.

International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. (follow the link on the right hand side of this page). Volume B presents accounts of the numerous aspects of reciprocal space in crystallographic research. After an introductory chapter, Part 1 presents the reader with an account of structure-factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods, and fundamental as well as advanced treatments of symmetry in reciprocal space. In Part 2, these general accounts are followed by detailed expositions of crystallographic statistics, the theory of direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination, including applications of direct methods to electron crystallography. Part 3 deals with applications of reciprocal space to molecular geometry and `best'-plane calculations, and contains a treatment of the principles of molecular graphics and modelling and their applications. A convergence-acceleration method of importance in the computation of approximate lattice sums is presented and the part concludes with a discussion of the Ewald method. Part 4 contains treatments of various diffuse-scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. Polymer crystallography and reciprocal-space images of aperiodic crystals are also treated. Part 5 of the volume contains introductory treatments of the theory of the interaction of radiation with matter (dynamical theory) as applied to X-ray, electron and neutron diffraction techniques. The simplified trigonometric expressions for the structure factors in the 230 three-dimensional space groups, which appeared in Volume I of International Tables for X-ray Crystallography, are now given in Appendix 1.4.3 to Chapter 1.4 of this volume. Volume B is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallographic research. Graduate students specializing in crystallography will find much material suitable for self-study and a rich source of references to the relevant literature.

In this book, we study theoretical and practical aspects of computing methods for mathematical modelling of nonlinear systems. A number of computing techniques are considered, such as methods of operator approximation with any given accuracy; operator interpolation techniques including a non-Lagrange interpolation; methods of system representation subject to constraints associated with concepts of causality, memory and stationarity; methods of system representation with an accuracy that is the best within a given class of models; methods of covariance matrix estimation;methods for low-rank matrix approximations; hybrid methods based on a combination of iterative procedures and best operator approximation; andmethods for information compression and filtering under condition that a filter model should satisfy restrictions associated with causality and different types of memory.As a result, the book represents a blend of new methods in general computational analysis,and specific, but also generic, techniques for study of systems theory ant its particularbranches, such as optimal filtering and information compression.- Best operator approximation,- Non-Lagrange interpolation,- Generic Karhunen-Loeve transform- Generalised low-rank matrix approximation- Optimal data compression- Optimal nonlinear filtering

This book introduces systematically the eigenfunction method, a new approach to the group representation theory which was developed by the authors in the 1970's and 1980's in accordance with the concept and method used in quantum mechanics. It covers the applications of the group theory in various branches of physics and quantum chemistry, especially nuclear and molecular physics. Extensive tables and computational methods are presented.Group Representation Theory for Physicists may serve as a handbook for researchers doing group theory calculations. It is also a good reference book and textbook for undergraduate and graduate students who intend to use group theory in their future research careers.

Group Theory is an indispensable mathematical tool in many branches of chemistry and physics. This book provides a self-contained and rigorous account on the fundamentals and applications of the subject to chemical physics, assuming no prior knowledge of group theory. The first half of the book focuses on elementary topics, such as molecular and crystal symmetry, whilst the latter half is more advanced in nature. Discussions on more complex material such as space groups, projective representations, magnetic crystals and spinor bases, often omitted from introductory texts, are expertly dealt with. With the inclusion of numerous exercises and worked examples, this book will appeal to advanced undergraduates and beginning graduate students studying physical sciences and is an ideal text for use on a two-semester course.