Spin Eigenfunctions
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The Construction Of Spin Eigenfunctions
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Author : Ruben Pauncz
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
The Construction Of Spin Eigenfunctions written by Ruben Pauncz 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 author wrote a monograph 20 years ago on the construction of spin eigen functions; the monograph was published by Plenum. The aim of that mono graph was to present all aspects connected with the construction of spin eigen functions and its relation to the use of many-electron antisymmetric wavefunc tions. The present book is an introduction to these subjects, with an emphasis on the practical side. After the theoretical treatment, there will be many exam ples and exercises which will illustrate the different methods. The theory of the symmetric group and its representations generated by the different spin eigen functions is an other subject, this is closely related to the quantum chemical applications. Finally we will survey the calculation of the matrix elements of the Hamiltonian, using the different constructions of the spin functions. The closing chapter will deal with a new method that gained much importance recently; the spin-coupled valence bond method. Since the publication of Spin Eigenfunctions, nearly 20 years ago there have been many interesting developments in the subject; there are quite a few new algorithms for the construction of spin eigenfunctions. Moreover the use of the spin-coupled valence bond method showed the importance of using different constructions for the spin functions. The subject matter of this book has been presented in a graduate course in the Technion. The author is obliged to the graduate students Averbukh Vitali, Gokhberg Kirill, and Narevicius Edvardas for many helpful comments.
Spin Eigenfunctions
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Author : Ruben Pauncz
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Spin Eigenfunctions written by Ruben Pauncz 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 aim of this book is to give a comprehensive treatment of the different methods for the construction of spin eigenfunctions and to show their interrelations. The ultimate goal is the construction of an antisymmetric many-electron wave function that has both spatial and spin parts and the calculation of the matrix elements of the Hamiltonian over the total wave function. The representations of the symmetric group playa central role both in the construction of spin functions and in the calculation of the matrix elements of the Hamiltonian, so this subject will be treated in detail. We shall restrict the treatment to spin-independent Hamiltonians; in this case the spin does not have a direct role in the energy expression, but the choice of spin functions influences the form of spatial functions through the antisymmetry principle; the spatial functions determine the energy of the system. We shall also present the "spin-free quantum chemistry" approach of Matsen and co-workers, in which one starts immediately with the construction of spatial functions that have the correct permutational symmetries. By presenting both the conventional and the spin-free approach, one gains a better understanding of certain aspects of the elec tronic correlation problem. The latest advance in the calculation of the matrix elements of the Hamiltonian is the use of the representations of the unitary group, so this will be the last subject. It is a pleasant task to thank all those who helped in writing this book.
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.
New Trends In Quantum Systems In Chemistry And Physics
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Author : J. Maruani
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
New Trends In Quantum Systems In Chemistry And Physics written by J. Maruani 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 2006-04-11 with Science categories.
These two volumes collect thirty-eight selected papers from the scientific contributions presented at the Fourth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IV), held in Marly-le-Roi (France) in April 22-27, 1999, A total ofone hundred and fifteen scientists attended the workshop, 99 from Europe and 16 from the rest ofthe world. They discussed the state of the art, new trends, and future evolution of the methods and applications. The workshop was held in the old town of Marly-le-Roi, which lies to the West of Paris between the historic centres of Saint-Germain-en-Laye and Versailles. Participants were housed at the National Youth Institute, where over sixty lectures were given by l- ding members ofthe scientific community; in addition, over sixty posters were presented in two very animated sessions. We are grateful to the oral speakers and to the poster p- senters for making the workshop such an stimulating experience. The social programme was also memorable - and notjust for the closing banquet, which was held at the French Senate House. We are sure that participants will long remember their visit to the 'Musée des Antiquités Nationales': created by Napoleon III at the birthplace ofLouis XIV, this museum boasts one ofthe world finest collections ofarcheological artifacts. The Marly-le-Roi workshop followed the format established at the three previous meetings, organized by Prof.
The Construction Of Spin Eigenfunctions
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Author : Ruben Pauncz
language : en
Publisher: Springer Science & Business Media
Release Date : 2000-06-30
The Construction Of Spin Eigenfunctions written by Ruben Pauncz 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 2000-06-30 with Computers categories.
The author wrote a monograph 20 years ago on the construction of spin eigen functions; the monograph was published by Plenum. The aim of that mono graph was to present all aspects connected with the construction of spin eigen functions and its relation to the use of many-electron antisymmetric wavefunc tions. The present book is an introduction to these subjects, with an emphasis on the practical side. After the theoretical treatment, there will be many exam ples and exercises which will illustrate the different methods. The theory of the symmetric group and its representations generated by the different spin eigen functions is an other subject, this is closely related to the quantum chemical applications. Finally we will survey the calculation of the matrix elements of the Hamiltonian, using the different constructions of the spin functions. The closing chapter will deal with a new method that gained much importance recently; the spin-coupled valence bond method. Since the publication of Spin Eigenfunctions, nearly 20 years ago there have been many interesting developments in the subject; there are quite a few new algorithms for the construction of spin eigenfunctions. Moreover the use of the spin-coupled valence bond method showed the importance of using different constructions for the spin functions. The subject matter of this book has been presented in a graduate course in the Technion. The author is obliged to the graduate students Averbukh Vitali, Gokhberg Kirill, and Narevicius Edvardas for many helpful comments.
Simple Theorems Proofs And Derivations In Quantum Chemistry
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Author : Istvan Mayer
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Simple Theorems Proofs And Derivations In Quantum Chemistry written by Istvan Mayer 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 2013-04-17 with Science categories.
Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem istry in the amount required by the (undergraduate) chemistry curriculum of the University, and wish to acquire deeper insight in the field, possibly in prepara tion of a master's or Ph.D. thesis in theoretical chemistry. In such a situation, I have the freedom to discuss, in detail, a limited number of topics which I feel are important for one reason or another. The exact coverage may vary from year to year, but I usually concentrate on the general principles and theorems and other basic theoretical results which I foresee will retain their importance despite the rapid development of quantum chemistry. I commonly organize my lectures by treating the subject from the begin ning, without referring explicitly to any actual previous knowledge in quantum chemistry-only some familiarity with its goals, approaches and, to a lesser ex tent, techniques is supposed. I concentrate on the formulae and their derivation, assuming the audience essentially understands the reasons for deriving these results. This book is basically derived from the material of my lectures. The spe cial feature, distinguishing it from most other textbooks, is that all results are explicitly proved or derived, and the derivations are presented completely, step by step. True understanding of a theoretical result can be achieved only if one has gone through its derivation.
Library Of Congress Subject Headings
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Author : Library of Congress. Cataloging Policy and Support Office
language : en
Publisher:
Release Date : 2007
Library Of Congress Subject Headings written by Library of Congress. Cataloging Policy and Support Office and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007 with Subject headings, Library of Congress categories.
Nuclear Moments
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Author : H. Kopferman
language : en
Publisher: Academic Press
Release Date : 2013-10-22
Nuclear Moments written by H. Kopferman and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Science categories.
Nuclear Moments focuses on the processes, methodologies, reactions, and transformations of molecules and atoms, including magnetic resonance and nuclear moments. The book first offers information on nuclear moments in free atoms and molecules, including theoretical foundations of hyperfine structure, isotope shift, spectra of diatomic molecules, and vector model of molecules. The manuscript then takes a look at nuclear moments in liquids and crystals. Discussions focus on nuclear paramagnetic and magnetic resonance and nuclear quadrupole resonance. The text discusses nuclear moments and nuclear models, as well as simple conclusions from experimental data and graphical representations of nuclear models and moments. An explanation of symbols used in the manuscript is also presented. The book is a dependable reference for readers interested in the study of nuclear moments.
Quantum Chemistry 2 E
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Author : Awode, Mahendra R.
language : en
Publisher: S. Chand Publishing
Release Date :
Quantum Chemistry 2 E written by Awode, Mahendra R. and has been published by S. Chand Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on with Science categories.
For B.Sc., M.Sc., B.E. and B.Tech and other Competitve Examinations. Includes 112 solved problems also.
Valence Bond Methods
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Author : Gordon A. Gallup
language : en
Publisher: Cambridge University Press
Release Date : 2002-07-11
Valence Bond Methods written by Gordon A. Gallup and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-07-11 with Science categories.
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