Electronic Structure
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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.
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.
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.
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.
Atomic And Electronic Structure Of Solids
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Author : Efthimios Kaxiras
language : en
Publisher: Cambridge University Press
Release Date : 2003-01-09
Atomic And Electronic Structure Of Solids written by Efthimios Kaxiras 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 2003-01-09 with Science categories.
Graduate-level textbook for physicists, chemists and materials scientists.
Modern Electronic Structure Theory
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Author : D. R. Yarkony
language : en
Publisher: World Scientific
Release Date : 1995
Modern Electronic Structure Theory written by D. R. Yarkony and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Modern Quantum Chemistry
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Author : Attila Szabo
language : en
Publisher: Courier Corporation
Release Date : 2012-06-08
Modern Quantum Chemistry written by Attila Szabo and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-06-08 with Science categories.
This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
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.
The study of the electronic structure of materials is at a momentous stage, with the emergence of computational methods and theoretical approaches. Many properties of materials can now be determined directly from the fundamental equations for the electrons, providing insights into critical problems in physics, chemistry, and materials science. This book provides a unified exposition of the basic theory and methods of electronic structure, together with instructive examples of practical computational methods and real-world applications. Appropriate for both graduate students and practising scientists, this book describes the approach most widely used today, density functional theory, with emphasis upon understanding the ideas, practical methods and limitations. Many references are provided to original papers, pertinent reviews, and widely available books. Included in each chapter is a short list of the most relevant references and a set of exercises that reveal salient points and challenge the reader.
Electronic Structure And Magneto Optical Properties Of Solids
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Author : Victor Antonov
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-05-05
Electronic Structure And Magneto Optical Properties Of Solids written by Victor Antonov 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 2006-05-05 with Science categories.
The aim of this book is to review recent achievements in thetheoretical investigations of the electronic structure, optical, magneto-optical (MO), and x-ray magnetic circular dichroism (XMCD)properties of compounds and Multilayered structures.Chapter 1 of this book is of an introductory character and presentsthe theoretical foundations of the band theory of solids such as thedensity functional theory for ground state properties of solidsincluding local density approximation (LDA). It also presents somemodifications to the LDA, such as gradient correction, self-interaction correction, LDA+U method, orbital polarizationcorrection, GW approximation, and dynamical mean- field theory. Thedescription of the magneto-optical effects and linear response theoryare also presented.The book describes the MO properties for a number of 3d materials, such as elemental ferromagnetic metals (Fe, Co and Ni) andparamagnetic metals in external magnetic fields (Pd and Pt), someimportant 3d compounds such as XPt3 (X=V, Cr, Mn, Fe and Co), Heusleralloys, chromium spinel chalcogenides, MnB and strongly correlatedmagnetite Fe304. It also describes the recent achievements in both theexperimental and theoretical investigations of the electronicstructure, optical and MO properties of transition metal multilayeredstructures (MLS).The book presents also the MO properties of f band ferromagneticmaterials: Tm, Nd, Sm, Ce and La monochalcogenides, some important Y