Electronic Structure Methods For Complex Materials
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Electronic Structure Methods For Complex Materials
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Author : Wai-Yim Ching
language : en
Publisher: OUP Oxford
Release Date : 2012-05-17
Electronic Structure Methods For Complex Materials written by Wai-Yim Ching and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-05-17 with Science categories.
Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
Electronic Structure Methods For Complex Materials
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Author : Wai-Yim Ching
language : en
Publisher: Oxford University Press
Release Date : 2012-05-17
Electronic Structure Methods For Complex Materials written by Wai-Yim Ching and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-05-17 with Mathematics categories.
This book details the application of the OLCAO method for calculating the properties of solids from fundamental principles to a wide array of material systems. The method specializes in large and complex models and is able to compute a variety of useful properties including electronic, optical, and spectroscopic properties.
Electronic Structure Of Materials
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Author : Rajendra Prasad
language : en
Publisher: Taylor & Francis
Release Date : 2013-07-23
Electronic Structure Of Materials written by Rajendra Prasad and has been published by Taylor & Francis this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-07-23 with Science categories.
Most textbooks in the field are either too advanced for students or don't adequately cover current research topics. Bridging this gap, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use these techniques in their work.Developed from the author's lecture
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.
Electronic Structure Of Disordered Alloys Surfaces And Interfaces
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Author : Ilja Turek
language : en
Publisher: Springer Science & Business Media
Release Date : 1997
Electronic Structure Of Disordered Alloys Surfaces And Interfaces written by Ilja Turek 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 1997 with Science categories.
An introduction to the study of basic electronic and magnetic properties of complex materials such as alloys, their surfaces, interfaces, and extended defects. Part I explores theoretical background, with chapters on the linear muffin-tin orbital method, Green function method, coherent potential approximation, self- consistency within atomic sphere approximation, and relativistic theory. Part II is devoted to applications including magnetic properties, numerical implementation, and interatomic interactions in alloys. Of interest to researchers in solid state theory, surface science, and computational materials research. Annotation copyrighted by Book News, Inc., Portland, OR.
Exploring Chemistry With Electronic Structure Methods
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Author : James B. Foresman
language : en
Publisher:
Release Date : 1996
Exploring Chemistry With Electronic Structure Methods written by James B. Foresman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Computers categories.
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.
Organic Semiconductors For Optoelectronics
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Author : Hiroyoshi Naito
language : en
Publisher: John Wiley & Sons
Release Date : 2021-08-02
Organic Semiconductors For Optoelectronics written by Hiroyoshi Naito 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 2021-08-02 with Science categories.
Comprehensive coverage of organic electronics, including fundamental theory, basic properties, characterization methods, device physics, and future trends Organic semiconductor materials have vast commercial potential for a wide range of applications, from self-emitting OLED displays and solid-state lighting to plastic electronics and organic solar cells. As research in organic optoelectronic devices continues to expand at an unprecedented rate, organic semiconductors are being applied to flexible displays, biosensors, and other cost-effective green devices in ways not possible with conventional inorganic semiconductors. Organic Semiconductors for Optoelectronics is an up-to-date review of the both the fundamental theory and latest research and development advances in organic semiconductors. Featuring contributions from an international team of experts, this comprehensive volume covers basic properties of organic semiconductors, characterization techniques, device physics, and future trends in organic device development. Detailed chapters provide key information on the device physics of organic field-effect transistors, organic light-emitting diodes, organic solar cells, organic photosensors, and more. This authoritative resource: Provides a clear understanding of the optoelectronic properties of organic semiconductors and their influence to overall device performance Explains the theories behind relevant mechanisms in organic semiconducting materials and in organic devices Discusses current and future trends and challenges in the development of organic optoelectronic devices Reviews electronic properties, device mechanisms, and characterization techniques of organic semiconducting materials Covers theoretical concepts of optical properties of organic semiconductors including fluorescent, phosphorescent, and thermally-assisted delayed fluorescent emitters An important new addition to the Wiley Series in Materials for Electronic & Optoelectronic Applications, Organic Semiconductors for Optoelectronics bridges the gap between advanced books and undergraduate textbooks on semiconductor physics and solid-state physics. It is essential reading for academic researchers, graduate students, and industry professionals involved in organic electronics, materials science, thin film devices, and optoelectronics research and development.
Handbook Of Materials Modeling
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Author : Sidney Yip
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-11-17
Handbook Of Materials Modeling written by Sidney Yip 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 2007-11-17 with Science categories.
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
The Embedding Method For Electronic Structure
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Author : John Inglesfield
language : en
Publisher: IOP Publishing Limited
Release Date : 2015
The Embedding Method For Electronic Structure written by John Inglesfield and has been published by IOP Publishing Limited this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with Science categories.
Annotation The embedding method is a powerful theoretical and computational technique relevant to many technologically and scientifically important problems. Encompassing important and topical problems in, for example, surface and interface electronic structure, adsorption, the physics of nanostructures, molecular electronics, plasmonics and photonics it has become an important tool for researchers in these fields. More recently it has also been extended into the time domain. This book provides a thorough review of the method which can be used as either an accessible starting point for those wishing to understand and use the method, or as a single reference source for those already applying it in their research.