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The Symmetric Group in Quantum Chemistry

2018-05-04 Science
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Release : 2018-05-04
Genre : Science
Kind : eBook
Book Rating : 670/5 ( reviews)

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Book Synopsis The Symmetric Group in Quantum Chemistry by : R. Pauncz

Download or read book The Symmetric Group in Quantum Chemistry written by R. Pauncz. This book was released on 2018-05-04. Available in PDF, EPUB and Kindle. Book excerpt: 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 Symmetric Group in Quantum Chemistry

2018-05-04 Science
Download The Symmetric Group in Quantum Chemistry PDF Online Free

Author :
Release : 2018-05-04
Genre : Science
Kind : eBook
Book Rating : 122/5 ( reviews)

GET EBOOK


Book Synopsis The Symmetric Group in Quantum Chemistry by : R. Pauncz

Download or read book The Symmetric Group in Quantum Chemistry written by R. Pauncz. This book was released on 2018-05-04. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Symmetry (Group Theory) and Mathematical Treatment in Chemistry

2018-07-18 Science
Download Symmetry (Group Theory) and Mathematical Treatment in Chemistry PDF Online Free

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Release : 2018-07-18
Genre : Science
Kind : eBook
Book Rating : 143/5 ( reviews)

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Book Synopsis Symmetry (Group Theory) and Mathematical Treatment in Chemistry by : Takashiro Akitsu

Download or read book Symmetry (Group Theory) and Mathematical Treatment in Chemistry written by Takashiro Akitsu. This book was released on 2018-07-18. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Chemical Applications of Symmetry and Group Theory

2016-11-03 Science
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Release : 2016-11-03
Genre : Science
Kind : eBook
Book Rating : 948/5 ( reviews)

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Book Synopsis Chemical Applications of Symmetry and Group Theory by : Rakshit Ameta

Download or read book Chemical Applications of Symmetry and Group Theory written by Rakshit Ameta. This book was released on 2016-11-03. Available in PDF, EPUB and Kindle. Book excerpt: 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.

The Unitary Group in Quantum Chemistry

1986 Chemistry, Physical and theoretical
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Release : 1986
Genre : Chemistry, Physical and theoretical
Kind : eBook
Book Rating : /5 ( reviews)

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Book Synopsis The Unitary Group in Quantum Chemistry by : Frederick Albert Matsen

Download or read book The Unitary Group in Quantum Chemistry written by Frederick Albert Matsen. This book was released on 1986. Available in PDF, EPUB and Kindle. Book excerpt: 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.

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