The Symmetric Group In Quantum Chemistry
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The Symmetric Group In Quantum Chemistry
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Author : R. Pauncz
language : en
Publisher: CRC Press
Release Date : 2018-05-04
The Symmetric Group In Quantum Chemistry written by R. Pauncz and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-05-04 with Science categories.
This is the first book to provide comprehensive treatment of the use of the symmetric group in quantum chemical structures of atoms, molecules, and solids. It begins with the conventional Slater determinant approach and proceeds to the basics of the symmetric group and the construction of spin eigenfunctions. The heart of the book is in the chapter dealing with spin-free quantum chemistry showing the great interpretation value of this method. The last three chapters include the unitary group approach, the symmetric group approach, and the spin-coupled valence bond method. An extensive bibliography concludes the book.
Applications Of Group Theory In Quantum Mechanics
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Author : M. I. Petrashen
language : en
Publisher: Courier Corporation
Release Date : 2013-01-03
Applications Of Group Theory In Quantum Mechanics written by M. I. Petrashen and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-03 with Science categories.
Geared toward postgraduate students, theoretical physicists, and researchers, this advanced text explores the role of modern group-theoretical methods in quantum theory. The authors based their text on a physics course they taught at a prominent Soviet university. Readers will find it a lucid guide to group theory and matrix representations that develops concepts to the level required for applications. The text's main focus rests upon point and space groups, with applications to electronic and vibrational states. Additional topics include continuous rotation groups, permutation groups, and Lorentz groups. A number of problems involve studies of the symmetry properties of the Schroedinger wave function, as well as the explanation of "additional" degeneracy in the Coulomb field and certain subjects in solid-state physics. The text concludes with an instructive account of problems related to the conditions for relativistic invariance in quantum theory.
Conceptual Perspectives In Quantum Chemistry
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Author : Jean-Louis Calais
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Conceptual Perspectives In Quantum Chemistry written by Jean-Louis Calais and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.
Role Of Symmetry Groups And Matrices In Chemistry
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Author : R.S. Thakur
language : en
Publisher: Atlantic Publishers & Dist
Release Date : 2007
Role Of Symmetry Groups And Matrices In Chemistry written by R.S. Thakur and has been published by Atlantic Publishers & Dist this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007 with Chemistry categories.
A New Area Is Emerging In Chemistry For Debate And Discussion On Molecular Structure And Bonding Of Molecules Of Different Types In Which The Role Of Symmetry Is Most Vital. The Two Elegant Parts Of Mathematics Group And Matrix Have Drawn Special Attention On The Key Subject Of Symmetry. Three Mathematical Branches Symmetry, Groups And Matrices Have Been Selected To Develop A New Text On Chemistry That Has Witnessed Growth Up To Buck Minister Fullerenes, Carbon-60 With Ih Point Group.The First Part Of Series On Chemical Mathematics Is Based On The Model Proposed By Prof. H.M. Chawla, An Iitian From Delhi. It Is A Well-Distinguished Approach To An Important Ingredient Of Physical Science Apart From Physics. Efforts Have Been Made To Formulate A Complete Course Structure On Group Theory And Chemistry.The Second Part Of The Series On Chemical Mathematics Has Laid The Foundation Of Quantum Chemistry (Quantum Mechanics In The Domain Of Molecular World). This Series Exhibits A Continuum On Bringing The Relevant Books For Honours And Postgraduate Level In The Universities Of The Indian Subcontinent As Well As Some Other Countries. A Fundamental Approach Supplying A Good Deal Of Vocabulary Prepared By The Mathematical Foundation Has Been Provided For The Benefit Of Students Of Molecular Chemistry.
Quantum Mechanics
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Author : Walter Greiner
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Quantum Mechanics written by Walter Greiner and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Greiner's lectures, which underlie these volumes, are internationally noted for their clarity, their completeness and for the effort that he has devoted to making physics an integral whole; his enthusiasm for his science is contagious and shines through almost every page. These volumes represent only a part of a unique and Herculean effort to make all of theoretical physics accessible to the interested student. Beyond that, they are of enormous value to the professional physicist and to all others working with quantum phenomena. Again and again the reader will find that, after dipping into a particular volume to review a specific topic, he will end up browsing, caught up by often fascinating new insights and developments with which he had not previously been familiar. Having used a number of Greiner's volumes in their original German in my teaching and research at Yale, I welcome these new and revised English translations and would recommend them enthusiastically to anyone searching for a coherent overview of physics.
The Permutation Group In Physics And Chemistry
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Author : J. Hinze
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
The Permutation Group In Physics And Chemistry written by J. Hinze and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The permutation group has gained prominence in the fundamental research in diverse areas of physics and chemistry. Covering all salient developments of the last few years in a single symposium would require weeks, legions of participants and parallel sessions, highlighting the differences in language and communication problems between pure mathematicians, high and low energy physicists and chemists. The symposium held July 1978 at the Centre of Interdisciplinary Studies of the University of Bielefeld focussed on a small area, the pertinence of the permutation group in chemical physics, with the goal to increase and generate a fruitful dialogue between mathe maticians and chemists. In chemistry, concerned with the electronic and geometric structure of molecules as well as elementary chemical reactions, i.e. rearrangements in these structures, the permutation group has its relevance, since with its representations the effects and consequences of exchanging indistin guishable particles, electrons and identical nuclei, can be systematized and classified. This may be exemplified by a brief survey of the lectures presented, which may also serve as a first orientation· to the articles of this volume. In the first two contributions by A. Kerber and J.G. Nourse, the permutation group is used in the counting and systemtaic generation of stereoisomers aiding in the elucidation of possible molecular structures. The dynamics of stereochemistry is considered in the next article by J.G.
Escola Brasileira De Estrutura Eletr Nica
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Author :
language : en
Publisher: Editora Livraria da Fisica
Release Date : 2003-06-03
Escola Brasileira De Estrutura Eletr Nica written by and has been published by Editora Livraria da Fisica this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-06-03 with Fiction categories.
Os capítulos desse livro compõem um programa abrangente, representativo da pesquisa na área de Estrutura Eletrônica no país, servindo de material de estudo e consulta tanto para especialistas quanto para estudantes e pesquisadores.
Mathematical Physical Chemistry
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Author : Shu Hotta
language : en
Publisher: Springer
Release Date : 2018-01-23
Mathematical Physical Chemistry written by Shu Hotta and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-23 with Science categories.
This book introduces basic concepts of mathematical physics to chemists. Many textbooks and monographs of mathematical physics may appear daunting to them. Unlike other, related books, however, this one contains a practical selection of material, particularly for graduate and undergraduate students majoring in chemistry. The book first describes quantum mechanics and electromagnetism, with the relation between the two being emphasized. Although quantum mechanics covers a broad field in modern physics, the author focuses on a hydrogen(like) atom and a harmonic oscillator with regard to the operator method. This approach helps chemists understand the basic concepts of quantum mechanics aided by their intuitive understanding without abstract argument, as chemists tend to think of natural phenomena and other factors intuitively rather than only logically. The study of light propagation, reflection, and transmission in dielectric media is of fundamental importance. This book explains these processes on the basis of Maxwell equations. The latter half of the volume deals with mathematical physics in terms of vectors and their transformation in a vector space. Finally, as an example of chemical applications, quantum chemical treatment of methane is introduced, including a basic but essential explanation of Green functions and group theory. Methodology developed by the author will also prove to be useful to physicists.
Valence Bond Theory
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Author : David Cooper
language : en
Publisher: Elsevier
Release Date : 2002-06-05
Valence Bond Theory written by David Cooper and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-06-05 with Science categories.
Valence bond (VB) theory, which builds the descriptions of molecules from those of its constituent parts, provided the first successful quantum mechanical treatments of chemical bonding. Its language and concepts permeate much of chemistry, at all levels. Various modern formulations of VB theory represent serious tools for quantum chemical studies of molecular electronic structure and reactivity. In physics, there is much VB-based work (particularly in semi-empirical form) on larger systems. Importance of TopicThe last decade has seen significant advances in methodology and a vast increase in the range of applications, with many new researchers entering the field.Why This TitleValence Bond Theory succeeds in presenting a comprehensive selection of contributions from leading valence bond (VB) theory researchers throughout the world. It focuses on the vast increase in the range of applications of methodology based on VB theory during the last decade and especially emphasizes recent advances.
Symmetry Adapted Basis Sets
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Author : John Avery
language : en
Publisher: World Scientific
Release Date : 2012
Symmetry Adapted Basis Sets written by John Avery and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Science categories.
In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding eigenfunctions and eigenvalues for the Hamiltonian of a many-particle system is usually so difficult that it requires approximate methods, the most common of which is expansion of the eigenfunctions in terms of basis functions that obey the boundary conditions of the problem. The computational effort needed in such problems can be much reduced by making use of symmetry-adapted basis functions. The conventional method for generating symmetry-adapted basis sets is through the application of group theory, but this can be difficult. This book describes an easier method for generating symmetry-adapted basis sets automatically with computer techniques. The method has a wide range of applicability, and can be used to solve difficult eigenvalue problems in a number of fields. The book is of special interest to quantum theorists, computer scientists, computational chemists and applied mathematicians.