Download or read book The Construction of Spin Eigenfunctions written by Ruben Pauncz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 193 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Spin Eigenfunctions written by Ruben Pauncz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book New Trends in Quantum Systems in Chemistry and Physics written by Jean Maruani and published by Springer Science & Business Media. This book was released on 2003-06-30 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Molecular Electronic Structure Theory written by Trygve Helgaker and published by John Wiley & Sons. This book was released on 2013-02-18 with total page 949 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.

Download or read book The Symmetric Group in Quantum Chemistry written by R. Pauncz and published by CRC Press. This book was released on 2018-05-04 with total page 260 pages. 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.

Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1972-07-31 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry

Download or read book Spin Waves written by Daniel D. Stancil and published by Springer Science & Business Media. This book was released on 2009-04-05 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book begins by introducing magnetism and discusses magnetic properties of materials, magnetic moments of atoms and ions, and the elements important to magnetism. It covers magnetic susceptibilities and electromagnetic waves in anisotropic dispersive media among other topics. There are problems at the end of each chapter, many of which serve to expand or explain the material in the text. The bibliographies for each chapter give an entry to the research literature.

Download or read book The Construction of Spin Eigenfunctions written by Ruben Pauncz and published by . This book was released on 2000-06-30 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: The current volume is a very practical book, consisting primarily of many examples and exercises. In particular, The Construction of Spin Eigenfunctions presents all aspects connected with the construction of spin eigenfunctions, and their relationship with many-electron antisymmetric wave functions. This book treats new aligorithms in a way that no previous books have. The Construction of Spin Eigenfunctions opens with a brief theoretical introduction. Due to the increasing importance of spin eigenfunctions in quantum chemistry, Dr. Pauncz has followed up with two helpful chapters on the symmetric group and its representations. The author has also calculated matrix elements of the Hamiltonian using spin eigenfunctions. Dr. Pauncz wraps up the book with an important new technique: the spin-coupled valence bond method. This book should be very useful to graduate students working in the field of molecular quantum mechanics. It also could be used as a text for a one-semester graduate course in physics or in chemistry.

Download or read book Electron Paramagnetic Resonance written by Marina Brustolon and published by John Wiley & Sons. This book was released on 2009-02-25 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a pragmatic guide to navigating through the complex maze of EPR/ESR spectroscopy fundamentals, techniques, and applications. Written for the scientist who is new to EPR spectroscopy, the editors have prepared a volume that de-mystifies the basic fundamentals without weighting readers down with detailed physics and mathematics, and then presents clear approaches in specific application areas. The first part presents basic fundamentals and advantages of electron paramagnetic resonance spectrscopy. The second part explores severalapplication areas including chemistry, biology, medicine, materials and geology. A frequently-asked-questions sections focuses on practicalquestions, such as the size of sample, etc. It's an ideal, hands-on reference for chemists and researchers in the pharmaceutical and materials (semiconductor) industries who are looking for a basic introduction to EPR spectroscopy.

Download or read book QUANTUM MECHANICS written by G. ARULDHAS and published by PHI Learning Pvt. Ltd.. This book was released on 2008-11-17 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Second Edition of this concise and compact text offers students a thorough understanding of the basic principles of quantum mechanics and their applications to various physical and chemical problems. This thoroughly class-texted material aims to bridge the gap between the books which give highly theoretical treatments and the ones which present only the descriptive accounts of quantum mechanics. Every effort has been made to make the book explanatory, exhaustive and student friendly. The text focuses its attention on problem-solving to accelerate the student’s grasp of the basic concepts and their applications. What is new to this Edition : Includes new chapters on Field Quantization and Chemical Bonding. Provides new sections on Rayleigh Scattering and Raman Scattering. Offers additional worked examples and problems illustrating the various concepts involved. This textbook is designed as a textbook for postgraduate and advanced undergraduate courses in physics and chemistry. Solutions Manual containing the solutions to chapter-end exercises is available for instructors. Solution Manual is available for adopting faculty. Click here to request...

Download or read book Advances in Imaging and Electron Physics written by and published by Academic Press. This book was released on 2013-01-17 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Imaging and Electron Physics features cutting-edge articles on the physics of electron devices (especially semiconductor devices), particle optics at high and low energies, microlithography, image science and digital image processing, electromagnetic wave propagation, electron microscopy, and the computing methods used in all these domains. Contributions from leading authorities Informs and updates on all the latest developments in the field

Download or read book Quantum Mechanical Foundations of Molecular Spectroscopy written by Max Diem and published by John Wiley & Sons. This book was released on 2021-04-14 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise textbook bridging quantum theory and spectroscopy! Designed as a practical text, Quantum Mechanical Foundations of Molecular Spectroscopy covers the quantum mechanical fundamentals of molecular spectroscopy from the view of a professional spectroscopist, rather than a theoretician. Written by a noted expert on the topic, the book puts the emphasis on the relationship between spectroscopy and quantum mechanics, and provides the background information and derivations of the subjects needed to understand spectroscopy including: stationary energy states, transitions between these states, selection rules, and symmetry. The phenomenal growth of all forms of spectroscopy over the past eight decades has contributed enormously to our understanding of molecular structure and properties. Today spectroscopy covers a broad field including the modern magnetic resonance techniques, non-linear, laser and fiber-based spectroscopy, surface and surface-enhanced spectroscopy, pico- and femtosecond time resolved spectroscopy, and many more. This up-to-date resource discusses several forms of spectroscopy that are used in many fields of science, such as fluorescence, surface spectroscopies, linear and non-linear Raman spectroscopy and spin spectroscopy. This important text: Contains the physics and mathematics needed to understand spectroscopy Explores spectroscopic methods the are widely used in chemistry, biophysics, biology, and materials science Offers a text written by an experienced lecturer and practitioner of spectroscopic methods Includes detailed explanations and worked examples Written for chemistry, biochemistry, material sciences, and physics students, Quantum Mechanical Foundations of Molecular Spectroscopy provides an accessible text for understanding molecular spectroscopy.

Download or read book Linus Pauling Selected Scientific Papers In 2 Volumes Volume 1 written by Barclay Kamb and published by World Scientific. This book was released on 2001-11-02 with total page 864 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linus Pauling wrote a stellar series of over 800 scientific papers spanning an amazing range of fields, some of which he himself initiated. This book is a selection of the most important of his writings in the fields of quantum mechanics, chemical bonding (covalent, ionic, metallic, and hydrogen bonding), molecular rotation and entropy, protein structure, hemoglobin, molecular disease, molecular evolution, the antibody mechanism, the molecular basis of anesthesia, orthomolecular medicine, radiation chemistry/biology, and nuclear structure. Through these papers the reader gets a fresh, unfiltered view of the genius of Pauling's many contributions to chemistry, chemical physics, molecular biology, and molecular medicine.

Download or read book Handbook of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-13 with total page 1451 pages. Available in PDF, EPUB and Kindle. Book excerpt: The role the Handbook of Computational Chemistry is threefold. It is primarily intended to be used as a guide that navigates the user through the plethora of computational methods currently in use; it explains their limitations and advantages; and it provides various examples of their important and varied applications. This reference work is presented in three volumes. Volume I introduces the different methods used in computational chemistry. Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined and special attention is paid to the limits of their applicability. Volume II portrays the applications of computational methods to model systems and discusses in detail molecular structures, the modelling of various properties of molecules and chemical reactions. Both ground and excited states properties are covered in the gas phase as well as in solution. This volume also describes Nanomaterials and covers topics such as clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume III is devoted to the important class of Biomolecules. Useful models of biological systems considered by computational chemists are provided and RNA, DNA and proteins are discussed in detail. This volume presents examples of calcualtions of their properties and interactions and reveals the role of solvents in biologically important reactions as well as the structure function relationship of various classes of Biomolecules.

Download or read book Pulsed Magnetic Resonance written by A. Abragam and published by Oxford University Press. This book was released on 1992 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a tribute to E.L. Hahn, an outstanding physicist whose discovery of spin echoes and demonstration of nuclear free induction decay led to the most important methods of modern nuclear magnetic resonance. The wide impact of these methods in physics, chemistry, biology, and medicine is fully acknowledged. In addition, Hahn's fundamental contributions in nuclear quadrupole echo phenomena, level crossing techniques, self-induced transparency and laser physics have been of paramount importance. Reflecting the diversity of these key discoveries and their vital influence, the articles presented here offer a stimulating and challenging contribution to the scientific literature which will be read by students and research workers from the wide range of disciplines using NMR techniques.

Download or read book Muon Physics written by Vernon Hughes and published by Elsevier. This book was released on 2012-12-02 with total page 409 pages. Available in PDF, EPUB and Kindle. Book excerpt: Muon Physics, Volume I: Electromagnetic Interactions deals with the electromagnetic interaction of muon as well as its static properties. The validity tests of quantum electrodynamics (QED) in the simple muonic system such as muonium, muonic hydrogen, and heavier muonic atoms are discussed. Possible tests of QED at much higher energy and large momentum transfers are also considered. An explanation of the unified gauge theories of electromagnetic and weak interactions in very simple and easily understandable terms is included as well. This volume is comprised of four chapters and begins with a historical overview of the muon, from its discovery and that of p and μ mesons to advances in understanding the vital roles played by the muon in almost every field of physics. The next chapter explores the electromagnetic properties of the muon and looks at experimental and theoretical developments concerning its static properties and electromagnetic interactions. The third chapter is concerned with the physics of the muonic atom and describes experimental methods for investigating the production of muonic atoms; charge distribution in spherical nuclei; the density of electrons in the atom; electric quadrupole and magnetic dipole interactions between the muon and the nucleus; and intensities of muonic transitions. The final chapter is devoted to cosmic-ray muons and emphasizes the character of very high-energy nucleon-nucleon interactions, together with the properties of the electromagnetic and weak interactions at very high energies. This book is written primarily for physicists as well as students and researchers in physics.

Download or read book Library of Congress Subject Headings written by Library of Congress and published by . This book was released on 2004 with total page 1674 pages. Available in PDF, EPUB and Kindle. Book excerpt: