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Group Theory with Applications in Chemical Physics

Group Theory with Applications in Chemical Physics Author Patrick W. M. Jacobs
ISBN-10 0521642507
Release 2005-10-18
Pages 485
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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.


Symmetry Author R. McWeeny
ISBN-10 9781483226248
Release 2013-09-03
Pages 262
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Symmetry: An Introduction to Group Theory and its Application is an eight-chapter text that covers the fundamental bases, the development of the theoretical and experimental aspects of the group theory. Chapter 1 deals with the elementary concepts and definitions, while Chapter 2 provides the necessary theory of vector spaces. Chapters 3 and 4 are devoted to an opportunity of actually working with groups and representations until the ideas already introduced are fully assimilated. Chapter 5 looks into the more formal theory of irreducible representations, while Chapter 6 is concerned largely with quadratic forms, illustrated by applications to crystal properties and to molecular vibrations. Chapter 7 surveys the symmetry properties of functions, with special emphasis on the eigenvalue equation in quantum mechanics. Chapter 8 covers more advanced applications, including the detailed analysis of tensor properties and tensor operators. This book is of great value to mathematicians, and math teachers and students.

Group Theory and Chemistry

Group Theory and Chemistry Author David M. Bishop
ISBN-10 0486673553
Release 1993-01
Pages 300
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Concise, self-contained introduction to group theory and its applications to chemical problems. Symmetry, matrices, molecular vibrations, transition metal chemistry, more. Relevant math included. Advanced-undergraduate/graduate-level. 1973 edition.

Group Theory and Quantum Mechanics

Group Theory and Quantum Mechanics Author Michael Tinkham
ISBN-10 9780486131665
Release 2012-04-20
Pages 352
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Graduate-level text develops group theory relevant to physics and chemistry and illustrates their applications to quantum mechanics, with systematic treatment of quantum theory of atoms, molecules, solids. 1964 edition.

Symmetry Relationships between Crystal Structures

Symmetry Relationships between Crystal Structures Author Ulrich Müller
ISBN-10 9780191648809
Release 2013-04-04
Pages 352
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In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of special importance. Part 1 of this book presents the necessary mathematical foundations and tools: the fundamentals of crystallography with special emphasis on symmetry, the theory of the crystallographic groups, and the formalisms of the needed crystallographic computations. Part 2 gives an insight into applications to problems in crystal chemistry. With the aid of numerous examples, it is shown how crystallographic group theory can be used to make evident relationships between crystal structures, to set up a systematic order in the huge amount of known crystal structures, to predict crystal structures, to analyse phase transitions and topotactic reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. A broad range of end-of-chapter exercises offers the possibility to apply the learned material. Worked-out solutions to the exercises can be found at the end of the book.

Group Theory in Solid State Physics and Photonics

Group Theory in Solid State Physics and Photonics Author Wolfram Hergert
ISBN-10 9783527413003
Release 2018-04-20
Pages 360
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While group theory and its application to solid state physics is well established, this textbook raises two completely new aspects. First, it provides a better understanding by focusing on problem solving and making extensive use of Mathematica tools to visualize the concepts. Second, it offers a new tool for the photonics community by transferring the concepts of group theory and its application to photonic crystals. Clearly divided into three parts, the first provides the basics of group theory. Even at this stage, the authors go beyond the widely used standard examples to show the broad field of applications. Part II is devoted to applications in condensed matter physics, i.e. the electronic structure of materials. Combining the application of the computer algebra system Mathematica with pen and paper derivations leads to a better and faster understanding. The exhaustive discussion shows that the basics of group theory can also be applied to a totally different field, as seen in Part III. Here, photonic applications are discussed in parallel to the electronic case, with the focus on photonic crystals in two and three dimensions, as well as being partially expanded to other problems in the field of photonics. The authors have developed Mathematica package GTPack which is available for download from the book's homepage. Analytic considerations, numerical calculations and visualization are carried out using the same software. While the use of the Mathematica tools are demonstrated on elementary examples, they can equally be applied to more complicated tasks resulting from the reader's own research.

Quantum Chemistry of Solids

Quantum Chemistry of Solids Author R.A. Evarestov
ISBN-10 9783642303562
Release 2013-01-19
Pages 734
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Quantum Chemistry of Solids 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 Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid –state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book. Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes. New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe,Co,Ni,Cu,Zn,Cd).

Group Theory in Quantum Mechanics

Group Theory in Quantum Mechanics Author Volker Heine
ISBN-10 9781483152004
Release 2014-05-15
Pages 478
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Group Theory in Quantum Mechanics: An Introduction to its Present Usage introduces the reader to the three main uses of group theory in quantum mechanics: to label energy levels and the corresponding eigenstates; to discuss qualitatively the splitting of energy levels as one starts from an approximate Hamiltonian and adds correction terms; and to aid in the evaluation of matrix elements of all kinds, and in particular to provide general selection rules for the non-zero ones. The theme is to show how all this is achieved by considering the symmetry properties of the Hamiltonian and the way in which these symmetries are reflected in the wave functions. This book is comprised of eight chapters and begins with an overview of the necessary mathematical concepts, including representations and vector spaces and their relevance to quantum mechanics. The uses of symmetry properties and mathematical expression of symmetry operations are also outlined, along with symmetry transformations of the Hamiltonian. The next chapter describes the three uses of group theory, with particular reference to the theory of atomic energy levels and transitions. The following chapters deal with the theory of free atoms and ions; representations of finite groups; the electronic structure and vibrations of molecules; solid state physics; and relativistic quantum mechanics. Nuclear physics is also discussed, with emphasis on the isotopic spin formalism, nuclear forces, and the reactions that arise when the nuclei take part in time-dependent processes. This monograph will be of interest to physicists and mathematicians.

Group theory in spectroscopy

Group theory in spectroscopy Author Susan B. Piepho
ISBN-10 UOM:39015016063417
Release 1983
Pages 634
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Group theory in spectroscopy has been writing in one form or another for most of life. You can find so many inspiration from Group theory in spectroscopy also informative, and entertaining. Click DOWNLOAD or Read Online button to get full Group theory in spectroscopy book for free.

Elements of Group Theory for Physicists

Elements of Group Theory for Physicists Author A. W. Joshi
ISBN-10 812240975X
Release 1997
Pages 305
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The Mathematical Study Of Group Theory Was Initiated In The Early Nineteenth Century By Such Mathematicians As Gauss, Cauchy, Abel, Hamilton, Galois, Cayley, And Many Others. However, The Advantages Of Group Theory In Physics Were Not Recognized Till 1925 When It Was Applied For Formal Study Of Theoretical Foundations Of Quantum Mechanics, Atomic Structures And Spectra By, To Name A Few, H A Bethe, E P Wigner, Etc. It Has Now Become Indispensable In Several Branches Of Physics And Physical Chemistry.Dr. Joshi Develops The Mathematics Of Group Theory And Then Goes On To Present Its Applications To Quantum Mechanics, Crystallography, And Solid State Physics. For Proper Comprehension Of Representation Theory, He Has Covered Thoroughly Such Diverse But Relevant Topics As Hilbert Spaces, Function Spaces, Operators, And Direct Sum And Product Of Matrices. He Often Proceeds From The Particular To The General So That The Beginning Student Does Not Have An Impression That Group Theory Is Merely A Branch Of Abstract Mathematics. Various Concepts Have Been Explained Consistently By The Use Of The C4V. Besides, It Contains An Improved And More General Proof Of The Schurs First Lemma And An Interpretation Of The Orthogonality Theorem In The Language Of Vector Spaces (Chapter 3).Throughout The Text The Author Gives Attention To Details And Avoids Complicated Notation. This Is A Valuable Book For Senior Students And Researchers In Physics And Physical Chemistry. A Thorough Understanding Of The Methodology And Results Contained In This Book Will Provide The Reader Sound Theoretical Foundations For Advanced Study Of Quantum Mechanics, Solid State Physics And Atomic And Particle Physics To Help Students A Flow-Chart Explaining Step By Step The Method Of Determining A Parallel-Running Example Illustrating The Procedure In Full Details Have Been Included. An Appendix On Mappings And Functions Has Also Been Added.

Group Theory in Physics

Group Theory in Physics Author Wu-Ki Tung
ISBN-10 9971966573
Release 1985
Pages 344
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An introductory text book for graduates and advanced undergraduates on group representation theory. It emphasizes group theory's role as the mathematical framework for describing symmetry properties of classical and quantum mechanical systems.Familiarity with basic group concepts and techniques is invaluable in the education of a modern-day physicist. This book emphasizes general features and methods which demonstrate the power of the group-theoretical approach in exposing the systematics of physical systems with associated symmetry.Particular attention is given to pedagogy. In developing the theory, clarity in presenting the main ideas and consequences is given the same priority as comprehensiveness and strict rigor. To preserve the integrity of the mathematics, enough technical information is included in the appendices to make the book almost self-contained.A set of problems and solutions has been published in a separate booklet.

Computational Quantum Chemistry II The Group Theory Calculator

Computational Quantum Chemistry II   The Group Theory Calculator Author Charles M. Quinn
ISBN-10 0080455204
Release 2010-07-26
Pages 196
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Modern Computational Quantum Chemistry is indispensable for research in the chemical sciences. Computational Quantum Chemistry II - The Group Theory Calculator describes the group theory that the authors have developed in the past twenty-five years and illustrates how this approach, known as the 'Spherical Shell' method, can be applied to solve a variety of problems that benefit from a group theory analysis. To complement the theory, the book is supplied with a CD-ROM (Windows TM application), on which interactive files, based on EXCEL spreadsheet technology controlled by Visual Basic code, can be used to perform straightforwardly group-theory analyses for direct application to the simplification of physical problems in Chemistry, Physics and even Engineering Science. The Group Theory Calculator Web page is located at The primary purpose of this Web page is to identify and resolve any problems encountered while using the MS EXCEL files on the CD-ROM (included with the book). The Web page is maintained by Charles M. Quinn and allows readers to gain updates and news relating to this publication. * A comprehensive description of the authors' revolutionary group theory and structural chemistry methodology * A unique reference/ teaching work together with a CD-ROM filled with powerful interactive files that can be applied to solve group theory problems * Valuable companion for instructors, designers and students * Contains powerful calculators that are simple to use and do not require detailed knowledge for their application

Group Theory and Its Application to Physical Problems

Group Theory and Its Application to Physical Problems Author Morton Hamermesh
ISBN-10 0486661814
Release 1962
Pages 509
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"A remarkably intelligible survey . . . well organized, well written and very clear throughout." — Mathematical Reviews This excellent text, long considered one of the best-written, most skillful expositions of group theory and its physical applications, is directed primarily to advanced undergraduate and graduate students in physics, especially quantum physics. No knowledge of group theory is assumed, but the reader is expected to be familiar with quantum mechanics. And while much of the book concerns theory, readers will nevertheless find a large number of physical applications in the fields of crystallography, molecular theory, and atomic and nuclear physics. The first seven chapters of the book are concerned with finite groups, focusing on the central role of the symmetric group. This section concludes with a chapter dealing with the problem of determining group characters, as it discusses Young tableaux, Yamanouchi symbols, and the method of Hund. The remaining five chapters discuss continuous groups, particularly Lie groups, with the final chapter devoted to the ray representation of Lie groups. The author, Professor Emeritus of Physics at the University of Minnesota, has included a generous selection of problems. They are inserted throughout the text at the place where they naturally arise, making the book ideal for self-study as well as for classroom assignment. 77 illustrations. "A very welcome addition to [the] literature. . . . I would warmly recommend the book to all serious students of Group Theory as applied to Physics." — Contemporary Physics. Index. Bibliography. Problems. Tables.

Problems in Structural Inorganic Chemistry

Problems in Structural Inorganic Chemistry Author Wai-Kee Li
ISBN-10 9780191633058
Release 2012-10-11
Pages 328
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This book consists of over 300 problems (and their solutions) in structural inorganic chemistry at the senior undergraduate and beginning graduate level. The topics covered comprise Atomic and Molecular Electronic States, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, and Crystal Structure. The central theme running through these topics is symmetry, molecular or crystalline. The problems collected in this volume originate in examination papers and take-home assignments that have been part of the teaching of the book's two senior authors' at The Chinese University of Hong Kong over the past four decades. The authors' courses include Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, X-Ray Crystallography, etc. The problems have been tested by generations of students taking these courses.

Representation of Crystallographic Space Groups

Representation of Crystallographic Space Groups Author Kovalev
ISBN-10 2881249345
Release 1993-12-08
Pages 349
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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

Applications of the Theory of Groups in Mechanics and Physics

Applications of the Theory of Groups in Mechanics and Physics Author Petre P. Teodorescu
ISBN-10 1402020465
Release 2004-04-30
Pages 446
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The notion of group is fundamental in our days, not only in mathematics, but also in classical mechanics, electromagnetism, theory of relativity, quantum mechanics, theory of elementary particles, etc. This notion has developed during a century and this development is connected with the names of great mathematicians as E. Galois, A. L. Cauchy, C. F. Gauss, W. R. Hamilton, C. Jordan, S. Lie, E. Cartan, H. Weyl, E. Wigner, and of many others. In mathematics, as in other sciences, the simple and fertile ideas make their way with difficulty and slowly; however, this long history would have been of a minor interest, had the notion of group remained connected only with rather restricted domains of mathematics, those in which it occurred at the beginning. But at present, groups have invaded almost all mathematical disciplines, mechanics, the largest part of physics, of chemistry, etc. We may say, without exaggeration, that this is the most important idea that occurred in mathematics since the invention of infinitesimal calculus; indeed, the notion of group expresses, in a precise and operational form, the vague and universal ideas of regularity and symmetry. The notion of group led to a profound understanding of the character of the laws which govern natural phenomena, permitting to formulate new laws, correcting certain inadequate formulations and providing unitary and non contradictory formulations for the investigated phenomena.

Line Groups in Physics

Line Groups in Physics Author Milan Damnjanovic
ISBN-10 9783642111716
Release 2010-05-03
Pages 200
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This volume gives a detailed and up-to-date overview of the line groups, the groups that describe the symmetry of quasi-one dimensional crystals. Nanotubes, nanowires, nanosprings, nanorods, and polymers are examples remarkable enough to have kept nanoscience as a leading field within material science and solid state physics for more than fifteen years now. The authors present the mathematical foundations, including classifications of the line groups, quasi one-dimensional crystals and quantum numbers, together with important applications. Extensive illustrations related to the physics of nanotubes make the book essential reading in this field above all. The book clearly demonstrates how symmetry is a most profound property of nature and contains valuable results that are published here for the first time.