Electronic Structure


Electronic Structure
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Electronic Structure


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 Materials


Electronic Structure Of Materials
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Author : Adrian P. Sutton
language : en
Publisher: Clarendon Press
Release Date : 1993-09-30

Electronic Structure Of Materials written by Adrian P. Sutton and has been published by Clarendon Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993-09-30 with categories.


This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. - ;This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. -



Berry Phases In Electronic Structure Theory


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.



Molecular Electronic Structure Theory


Molecular Electronic Structure Theory
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Author : Trygve Helgaker
language : en
Publisher: John Wiley & Sons
Release Date : 2014-08-11

Molecular Electronic Structure Theory written by Trygve Helgaker 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 2014-08-11 with Science categories.


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.



Modern Electronic Structure Theory


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.



Electronic Structure And Electronic Transitions In Layered Materials


Electronic Structure And Electronic Transitions In Layered Materials
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Author : V. Grasso
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Electronic Structure And Electronic Transitions In Layered Materials written by V. Grasso 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.


This new volume in the series Physics and Chemistry of Materials with Layered Structures satisfies the need for a comprehensive review of the progress made in the decade 1972-1982 in the field of the electronic properties of layer compounds. Some recent theoretical and experimental developments are highlighted by authori tative physicists active in current research. The previous books of this series covering similar topics are volumes 3 and 4. The present review is mainly intended to fulfill the gap up to 1982 and part of 1983. I am indebted to all the authors for their friendly co-operation and continuous effort in preparing the contributions in their own fields of competence. I am sure that both the expertise scientists and the beginners in the field of the electronic properties of layered materials will find this book a valuable tool for their research work. Warm thanks are due to Prof. E. Mooser, General Editor of the series, for his constant and authoritative advice. * * * This book has been conceived as a tribute to Prof. Franco Bassani to whom the Italian tradition in the field of layer compounds, as well as in other fields of solid state physics, owes much. The authors of this review have all benefited at some time of their professional life from close cooperation with him. Istituto di Struttura della Materia, VINCENZO GRASSO Universitd di Messina IX V Grasso (ed.). Electronic Structure and Electronic Transitions in Layered Materials. ix.



The Electronic Structure Of Complex Systems


The Electronic Structure Of Complex Systems
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Author : P. Phariseau
language : en
Publisher: Springer
Release Date : 1984

The Electronic Structure Of Complex Systems written by P. Phariseau and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1984 with Gardening categories.


We present here the transcripts of lectures and talks which were delivered at the NATO ADVANCED STUDY INSTITUTE "Electronic Structure of Complex Systems" held at the State University of Ghent, Belgium during the period July 12-23, 1982. The aim of these lectures was to highlight some of the current progress in our understanding of the electronic structure of com plex systems. A massive leap forward is obtained in bandstructure calculations with the advent of linear methods. The bandtheory also profitted tremendously from the recent developments in the density functional theories for the properties of the interacting electron gas in the presence of an external field of ions. The means of per forming fast bandstructure calculations and the confidence in the underlying potential functions have led in the past five years or so to a wealth of investigations into the electronic properties of elemental solids and compounds. The study of the trends of the electronic structure through families of materials provided invalu able insights for the prediction of new materials. The detailed study of the electronic structure of specific solids was not neglected and our present knowledge of d- and f-metals and metal hydrides was reviewed. For those systems we also investi gated the accuracy of the one electron potentials in fine detail and we complemented this with the study of small clusters of atoms where our calculations are amenable to comparison with the frontiers of quantum chemistry calculations.



Electronic Structure Of Materials


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 Modeling


Electronic Structure Modeling
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Author : Carl Trindle
language : en
Publisher: CRC Press
Release Date : 2008-05-28

Electronic Structure Modeling written by Carl Trindle and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-05-28 with Science categories.


Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations. The t



Electronic Structure And Properties Of Transition Metal Compounds


Electronic Structure And Properties Of Transition Metal Compounds
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Author : Isaac B. Bersuker
language : en
Publisher: John Wiley & Sons
Release Date : 2010-12-01

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 2010-12-01 with Science categories.


With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive understanding of fundamental molecular properties amidst cutting-edge applications. Including ~70 Example-Boxes and summary notes, questions, exercises, problem sets, and illustrations in each chapter, this publication is also suitable for use as a textbook for advanced undergraduate and graduate students. Novel material is introduced in description of multi-orbital chemical bonding, spectroscopic and magnetic properties, methods of electronic structure calculation, and quantum-classical modeling for organometallic and metallobiochemical systems. This is an excellent reference for chemists, researchers and teachers, and advanced undergraduate and graduate students in inorganic, coordination, and organometallic chemistry.