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.
The Unitary Group In Quantum Chemistry
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Author : Frederick Albert Matsen
language : en
Publisher: Elsevier Publishing Company
Release Date : 1986
The Unitary Group In Quantum Chemistry written by Frederick Albert Matsen and has been published by Elsevier Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986 with Chemistry, Physical and theoretical categories.
A major concern of quantum chemistry is the prediction of properties of atoms and molecules. These predictions can be based on the solutions to certain theoretical equations. The solutions to equations for molecular systems are usually not exact. Approximate solutions therefore have to be obtained by the application of sophisticated mathematical techniques. The application of symmetry theory is essential in this process. Unitary groups arise from the application of this symmetry theory. This book concerns the use of the unitary group in such quantum chemistry calculations. The subject will be of interest to physicists and those chemists who have a strong mathematical leaning and who are developing methods for calculating molecular properties by quantum mechanical methods.
Symmetry Group Theory And Mathematical Treatment In Chemistry
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Author : Takashiro Akitsu
language : en
Publisher: BoD – Books on Demand
Release Date : 2018-07-18
Symmetry Group Theory And Mathematical Treatment In Chemistry written by Takashiro Akitsu and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-07-18 with Science categories.
The aim of this book Symmetry (Group Theory) and Mathematical Treatment in Chemistry is to be a graduate school-level text about introducing recent research examples associated with symmetry (group theory) and mathematical treatment in inorganic or organic chemistry, physical chemistry or chemical physics, and theoretical chemistry. Chapters contained can be classified into mini-review, tutorial review, or original research chapters of mathematical treatment in chemistry with brief explanation of related mathematical theories. Keywords are symmetry, group theory, crystallography, solid state, topology, molecular structure, electronic state, quantum chemistry, theoretical chemistry, and DFT calculations.
The Theory Of Groups And Quantum Mechanics
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Author : Hermann Weyl
language : en
Publisher: Courier Corporation
Release Date : 1950-01-01
The Theory Of Groups And Quantum Mechanics written by Hermann Weyl and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 1950-01-01 with Mathematics categories.
This landmark among mathematics texts applies group theory to quantum mechanics, first covering unitary geometry, quantum theory, groups and their representations, then applications themselves — rotation, Lorentz, permutation groups, symmetric permutation groups, and the algebra of symmetric transformations.
The Symmetric Group In Quantum Chemistry
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FREE 30 Days
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.
Chemical Applications Of Symmetry And Group Theory
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Author : Rakshit Ameta
language : en
Publisher: CRC Press
Release Date : 2016-11-03
Chemical Applications Of Symmetry And Group Theory written by Rakshit Ameta and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-03 with Science categories.
As the structure and behavior of molecules and crystals depend on their different symmetries, group theory becomes an essential tool in many important areas of chemistry. It is a quite powerful theoretical tool to predict many basic as well as some characteristic properties of molecules. Whereas quantum mechanics provide solutions of some chemical problems on the basis of complicated mathematics, group theory puts forward these solutions in a very simplified and fascinating manner. Group theory has been successfully applied to many chemical problems. Students and teachers of chemical sciences have an invisible fear from this subject due to the difficulty with the mathematical jugglery. An active sixth dimension is required to understand the concept as well as to apply it to solve the problems of chemistry. This book avoids mathematical complications and presents group theory so that it is accessible to students as well as faculty and researchers. Chemical Applications of Symmetry and Group Theory discusses different applications to chemical problems with suitable examples. The book develops the concept of symmetry and group theory, representation of group, its applications to I.R. and Raman spectroscopy, U.V spectroscopy, bonding theories like molecular orbital theory, ligand field theory, hybridization, and more. Figures are included so that reader can visualize the symmetry, symmetry elements, and operations.
Advances In Quantum Chemistry
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Author :
language : en
Publisher: Academic Press
Release Date : 1992-10-13
Advances In Quantum Chemistry written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992-10-13 with Science categories.
Advances in Quantum Chemistry
Group Theory
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Author : Eugene P. Wigner
language : en
Publisher: Elsevier
Release Date : 2013-09-03
Group Theory written by Eugene P. Wigner and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-09-03 with Science categories.
Group Theory and its Application to the Quantum Mechanics of Atomic Spectra describes the applications of group theoretical methods to problems of quantum mechanics with particular reference to atomic spectra. The manuscript first takes a look at vectors and matrices, generalizations, and principal axis transformation. Topics include principal axis transformation for unitary and Hermitian matrices; unitary matrices and the scalar product; linear independence of vectors; and real orthogonal and symmetric matrices. The publication also ponders on the elements of quantum mechanics, perturbation theory, and transformation theory and the bases for the statistical interpretation of quantum mechanics. The book discusses abstract group theory and invariant subgroups, including theorems of finite groups, factor group, and isomorphism and homomorphism. The text also reviews the algebra of representation theory, rotation groups, three-dimensional pure rotation group, and characteristics of atomic spectra. Discussions focus on eigenvalues and quantum numbers, spherical harmonics, and representations of the unitary group. The manuscript is a valuable reference for readers interested in the applications of group theoretical methods.
Group Theory In Quantum Mechanics
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Author : Volker Heine
language : en
Publisher: Courier Corporation
Release Date : 2013-02-21
Group Theory In Quantum Mechanics written by Volker Heine and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-02-21 with Science categories.
Geared toward research students in physics and chemistry, this text introduces the three main uses of group theory in quantum mechanics: (1) to label energy levels and the corresponding eigenstates; (2) to discuss qualitatively the splitting of energy levels, starting from an approximate Hamiltonian and adding correction terms; and (3) to aid in the evaluation of matrix elements of all kinds. "The theme," states author Volker Heine, "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." Early chapters cover symmetry transformations, the quantum theory of a free atom, and the representations of finite groups. Subsequent chapters address the structure and vibrations of molecules, solid state physics, nuclear physics, and relativistic quantum mechanics. A previous course in quantum theory is necessary, but the relevant matrix algebra appears in an appendix. A series of examples of varying levels of difficulty follows each chapter. They include simple drills related to preceding material as well as extensions of theory and further applications. The text is enhanced with 46 illustrations and 12 helpful appendixes.
Introduction To Symmetry And Group Theory For Chemists
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Author : Arthur M. Lesk
language : en
Publisher: Springer Science & Business Media
Release Date : 2004-07-14
Introduction To Symmetry And Group Theory For Chemists written by Arthur M. Lesk 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 2004-07-14 with Science categories.
This book is based on a one-semester course for advanced undergraduates specializing in physical chemistry. I am aware that the mathematical training of most science majors is more heavily weighted towards analysis – typ- ally calculus and differential equations – than towards algebra. But it remains my conviction that the basic ideas and applications of group theory are not only vital, but not dif?cult to learn, even though a formal mathematical setting with emphasis on rigor and completeness is not the place where most chemists would feel most comfortable in learning them. The presentation here is short, and limited to those aspects of symmetry and group theory that are directly useful in interpreting molecular structure and spectroscopy. Nevertheless I hope that the reader will begin to sense some of the beauty of the subject. Symmetry is at the heart of our understanding of the physical laws of nature. If a reader is happy with what appears in this book, I must count this a success. But if the book motivates a reader to move deeper into the subject, I shall be grati?ed.