Electronic Structure And Number Theory
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Electronic Structure And Number Theory
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Author : Jan C.A. Boeyens
language : en
Publisher: Springer
Release Date : 2013-01-26
Electronic Structure And Number Theory written by Jan C.A. Boeyens and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-26 with Science categories.
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed.
Electronic Structure
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Author : Richard M. Martin
language : en
Publisher: Cambridge University Press
Release Date : 2004-04-08
Electronic Structure written by Richard M. Martin 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 2004-04-08 with Science categories.
An important graduate textbook in condensed matter physics by highly regarded physicist.
Berry Phases In Electronic Structure Theory
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Author : David Vanderbilt
language : en
Publisher: Cambridge University Press
Release Date : 2018-11
Berry Phases In Electronic Structure Theory written by David Vanderbilt 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 2018-11 with Science categories.
An introduction to the role of Berry phases in our modern understanding of the physics of electrons in solids.
Methods Of Electronic Structure Theory
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Author : Henry F. Schaefer
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Methods Of Electronic Structure Theory written by Henry F. Schaefer 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 2013-06-29 with Science categories.
These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . . . . . . . 1 1. 1. Slater Functions and the Hydrogen Moleeule 1 1. 2. Gaussian Functions and the Hydrogen Atom 3 2. Hartree-Fock Calculations on the First Row Atoms 5 2. 1. Valence States of the First Row Atoms 6 7 2. 2. Rydberg States of the First Row Atoms 9 2. 3.
Traces In Number Theory Geometry And Quantum Fields
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Author : Sergio Albeverio
language : en
Publisher: Vieweg+Teubner Verlag
Release Date : 2007-12-12
Traces In Number Theory Geometry And Quantum Fields written by Sergio Albeverio and has been published by Vieweg+Teubner Verlag this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-12-12 with Mathematics categories.
Traces and determinants arise in various guises in many areas of mathematics and mathematical physics: in regularization procedures in quantum fields theory, in the definition of correlation functions and partition functions, in index theory for manifolds and for noncommutative spaces, and in the study of dynamical systems, through zeta functions and zeta determinants, as well as in number theory in the study of zeta and L-functions. This volumes shows, through a series of concrete example, specific results as well as broad overviews, how similar methods based on traces and determinants arise in different perspectives in the fields of number theory, dynamical systems, noncommutative geometry, differential geometry and quantum field theory.
Electronic Structure And Properties Of Transition Metal Compounds
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Author : Isaac B. Bersuker
language : en
Publisher: John Wiley & Sons
Release Date : 2025-04-15
Electronic Structure And Properties Of Transition Metal Compounds written by Isaac B. Bersuker and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-04-15 with Science categories.
Presents the latest achievements in the theory of electronic structure and properties of transition metal coordination compounds with applications to a range of chemical and physical problems Electronic Structure and Properties of Transition Metal Compounds offers a detailed and authoritative account of the theory of electronic structure and the properties of transition metal compounds with applications to various chemical and physical problems. The fully updated third edition incorporates recent developments and methods in the field, including new coverage of methods of ab initio calculations of the electronic structure of coordination compounds and the application of vibronic coupling and the Jahn-Teller effect to solve coordination chemistry problems. Revised chapters provide up-to-date views on reactivity, chemical activation, and catalysis. New and expanded questions, exercises, and problems in each chapter are supported by new problem-solving examples, illustrations, graphic presentations, and references. Designed to be intelligible to advanced students, researchers, and instructors, Electronic Structure and Properties of Transition Metal Compounds: Provides thorough coverage of the theory underlying the electronic structure and properties of transition metal compounds, including the physical methods of their investigation Helps readers understand the origin of observable properties in transition metal compounds and choose a suitable method of their investigation Contains numerous problems with solutions and illustrative examples demonstrating the application of the theory to solving specific chemical and physical problems Presents a generalized view of the modern state of the field, beginning from the main ideas of quantum chemistry and atomic states to applications to various chemical and physical problems Features novel problems never fully considered in books on coordination chemistry, such as relativistic effects in bonding, optical band shapes, and electron transfer in mixed-valence compounds Electronic Structure and Properties of Transition Metal Compounds: Theory and Applications, Third Edition is an excellent textbook for graduate and advanced undergraduate chemistry students, as well as a useful reference for inorganic, bioinorganic, coordination, organometallic, and physical chemists and industrial and academic researchers working in catalysis, organic synthesis, materials science, and physical methods of investigation.
Electronic Structure And The Properties Of Solids
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Author : Walter A. Harrison
language : ru
Publisher: Courier Corporation
Release Date : 1989-07-01
Electronic Structure And The Properties Of Solids written by Walter A. Harrison and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989-07-01 with Science categories.
"Should be widely read by practicing physicists, chemists and materials scientists." — Philosophical Magazine In this comprehensive and innovative text, Professor Harrison (Stanford University) offers a basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals, and their compounds. The book illuminates the relationships of the electronic structures of these materials and shows how to calculate dielectric, conducting, and bonding properties for each. Also described are various methods of approximating electronic structure, providing insight and even quantitative results from the comparisons. Dr. Harrison has also included an especially helpful "Solid State Table of the Elements" that provides all the parameters needed to estimate almost any property of any solid, with a hand-held calculator, using the techniques developed in the book. Designed for graduate or advanced undergraduate students who have completed an undergraduate course in quantum mechanics or atomic and modern physics, the text treats the relation between structure and properties comprehensively for all solids rather than for small classes of solids. This makes it an indispensable reference for all who make use of approximative methods for electronic-structure engineering, semiconductor development and materials science. The problems at the ends of the chapters are an important aspect of the book. They clearly show that the calculations for systems and properties of genuine and current interest are actually quite elementary. Prefaces. Problems. Tables. Appendixes. Solid State Table of the Elements. Bibliography. Author and Subject Indexes. "Will doubtless exert a lasting influence on the solid-state physics literature." — Physics Today
Electronic Structure Calculations For Solids And Molecules
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Author : Jorge Kohanoff
language : en
Publisher: Cambridge University Press
Release Date : 2006-06-29
Electronic Structure Calculations For Solids And Molecules written by Jorge Kohanoff 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 2006-06-29 with Science categories.
Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Novel Electronic Structure Theory General Innovations And Strongly Correlated Systems
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Author :
language : en
Publisher: Academic Press
Release Date : 2018-01-03
Novel Electronic Structure Theory General Innovations And Strongly Correlated Systems 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 2018-01-03 with Science categories.
Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances in Quantum Chemistry series presents work and reviews of current work in quantum chemistry (molecules), but also includes scattering from atoms and solid state work of interest in physics. Topics covered in this release include the Present Status of Selected Configuration Interaction with Truncation Energy Error, Recent Developments in Asymptotic Expansions from Numerical Analysis and Approximation Theory, The kinetic energy Pauli enhancement factor and its role in determining the shell structure of atoms and molecules, Numerical Hartree-Fock and Many-Body Calculations for Diatomic Molecules, and more. - Provides reports on current work in molecular and atomic quantum mechanics - Contains work reported by many of the best scientists in the field - Presents the latest release in the Advances in Quantum Chemistry series
A Mathematical Introduction To Electronic Structure Theory
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Author : Lin Lin
language : en
Publisher: SIAM
Release Date : 2019-06-05
A Mathematical Introduction To Electronic Structure Theory written by Lin Lin and has been published by SIAM this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-05 with Mathematics categories.
Based on first principle quantum mechanics, electronic structure theory is widely used in physics, chemistry, materials science, and related fields and has recently received increasing research attention in applied and computational mathematics. This book provides a self-contained, mathematically oriented introduction to the subject and its associated algorithms and analysis. It will help applied mathematics students and researchers with minimal background in physics understand the basics of electronic structure theory and prepare them to conduct research in this area. The book begins with an elementary introduction of quantum mechanics, including the uncertainty principle and the Hartree?Fock theory, which is considered the starting point of modern electronic structure theory. The authors then provide an in-depth discussion of two carefully selected topics that are directly related to several aspects of modern electronic structure calculations: density matrix based algorithms and linear response theory. Chapter 2 introduces the Kohn?Sham density functional theory with a focus on the density matrix based numerical algorithms, and Chapter 3 introduces linear response theory, which provides a unified viewpoint of several important phenomena in physics and numerics. An understanding of these topics will prepare readers for more advanced topics in this field. The book concludes with the random phase approximation to the correlation energy. The book is written for advanced undergraduate and beginning graduate students, specifically those with mathematical backgrounds but without a priori knowledge of quantum mechanics, and can be used for self-study by researchers, instructors, and other scientists. The book can also serve as a starting point to learn about many-body perturbation theory, a topic at the frontier of the study of interacting electrons.