Quantum Espresso Course For Solid State Physics
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Quantum Espresso Course For Solid State Physics
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Author : Nguyen Tuan Hung
language : en
Publisher: CRC Press
Release Date : 2022-12-29
Quantum Espresso Course For Solid State Physics written by Nguyen Tuan Hung and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-29 with Science categories.
This book is a hands-on tutorial for using Quantum ESPRESSO, which is an open software of first-principles calculation for the electronic structure of materials. When we design a new material, the electronic-structure calculation is essential to discuss the origin of the physical properties of the material. Nowadays, many researchers can run Quantum ESPRESSO on personal computers without paying any cost of the software. The book covers one-by-one the basic concepts for learning solid-state physics, including: geometry optimization, energy band dispersion, phonons, superconductivity, optical properties, and many others. It describes how to install, run, and understand the results of Quantum ESPRESSO. The book also covers some fundamental aspects of density-functional theory and solid-state physics.
Topological Modelling Of Nanostructures And Extended Systems
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Author : Ali Reza Ashrafi
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-05-19
Topological Modelling Of Nanostructures And Extended Systems written by Ali Reza Ashrafi 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 2013-05-19 with Science categories.
Topological Modelling of Nanostructures and Extended Systems completes and expands upon the previously published title within this series: The Mathematics and Topology of Fullerenes (Vol. 4, 2011) by gathering the latest research and advances in materials science at nanoscale. It introduces a new speculative area and novel concepts like topochemical reactions and colored reactive topological indices and provides a better understanding of the physical-chemical behaviors of extended systems. Moreover, a charming new family of space-filling fullerenic crystals is here analyzed for the first time. Particular attention is given to the fundamental influences exercised by long-range connectivity topological mechanisms on the chemical and physical properties of carbon nanostructures. Systems consisting in graphenic layers with structural and topological defects are investigated in their electronic and magnetic behaviors also in presence of metallic particles. More specifically, the book focuses on: - Electronic Properties of low dimensional nanostructures including negatively-curved carbon surfaces; Pariser-Parr-Pople model hamiltonian approach to graphene studies; - Topochemistry and Toporeactcivity of extended sp2-nanocarbons: PAH, fullerenes, nanoribbons, Moebius-like nanoribbons, nanotubes and grapheme; - Novel class of crystal networks arising from spanning fullerenes; - Nanostructures and eigenvectors of matrices and an extended treatise of topological invariants; - Enumeration hetero-fullerenes by Polya theory. Topological Modelling of Nanostructures and Extended Systems represents a valuable resource to advances graduates and researchers working in mathematics, chemistry, physics and material science.
Exploring Chemical Concepts Through Theory And Computation
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Author : Shubin Liu
language : en
Publisher: John Wiley & Sons
Release Date : 2024-10-21
Exploring Chemical Concepts Through Theory And Computation written by Shubin Liu 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 2024-10-21 with Science categories.
Deep, theoretical resource on the essence of chemistry, explaining the sixteen most important concepts including redox states and bond types Exploring Chemical Concepts Through Theory and Computation provides a comprehensive account of how the three widely used theoretical frameworks of valence bond theory, molecular orbital theory, and density functional theory, along with a variety of important chemical concepts, can between them describe and efficiently and reliably predict key chemical parameters and phenomena. By comparing the three main theoretical frameworks, readers will become competent in choosing the right modeling approach for their task. The authors go beyond a simple comparison of existing algorithms to show how data-driven theories can explain why chemical compounds behave the way they do, thus promoting a deeper understanding of the essence of chemistry. The text is contributed to by top theoretical and computational chemists who have turned computational chemistry into today's data-driven and application-oriented science. Exploring Chemical Concepts Through Theory and Computation discusses topics including: Orbital-based approaches, density-based approaches, chemical bonding, partial charges, atoms in molecules, oxidation states, aromaticity and antiaromaticity, and acidity and basicity Electronegativity, hardness, softness, HSAB, sigma-hole interactions, charge transport and energy transfer, and homogeneous and heterogeneous catalysis Electrophilicity, nucleophilicity, cooperativity, frustration, homochirality, and energy decomposition Chemical concepts in solids, excited states, spectroscopy and machine learning, and catalysis and machine learning, and as well as key connections between related concepts Aimed at both novice and experienced computational, theoretical, and physical chemists, Exploring Chemical Concepts Through Theory and Computation is an essential reference to gain a deeper, more advanced holistic understanding of the field of chemistry as a whole.
P Ter R Surj N
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Author : Ágnes Szabados
language : en
Publisher: Springer
Release Date : 2016-04-27
P Ter R Surj N written by Ágnes Szabados and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-27 with Science categories.
In this Festschrift dedicated to the 60th birthday of Péter R. Surján, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.
Tko Je Tko U Hrvatskoj
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Author : Franjo Maletić
language : en
Publisher:
Release Date : 1993
Tko Je Tko U Hrvatskoj written by Franjo Maletić and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Croatia categories.
Quantum Theory Of Solids
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Author : Charles Kittel
language : en
Publisher:
Release Date : 1987
Quantum Theory Of Solids written by Charles Kittel and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1987 with Quantum theory categories.
"The object of this textbook is to present the central principles of the quantum theory of solids to theoretical physicists generally and to those experimental solid state physicists who have had a one year course in quantum mechanics ... This book contains problems and is a textbook; it is not a history of the development of the subject."--Preface.
Quantum Theory Of The Solid State
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Author : Joseph Callaway
language : en
Publisher: Academic Press
Release Date : 2013-10-22
Quantum Theory Of The Solid State written by Joseph Callaway and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Science categories.
Quantum Theory of the Solid State, Part B describes the concepts and methods of the central problems of the quantum theory of solids. This book discusses the developed machinery applied to impurities, disordered systems, effects of external fields, transport phenomena, and superconductivity. The representation theory, low field diamagnetic susceptibility, electron-phonon interaction, and Landau theory of fermi liquids are also deliberated. This text concludes with an introduction to many-body theory and some applications. This publication is a suitable textbook for students who have completed a one-year course in quantum mechanics and have some familiarity with the experimental facts of solid state physics.
Quantum Theory Of The Solid State A
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Author : Joseph Callaway
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Quantum Theory Of The Solid State A written by Joseph Callaway and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Quantum Theory of the Solid State, Part A, describes the concepts and methods, and introduces some of the central problems of the quantum theory of solids. This work is intended to be a single intellectual unit, although for reasons of convenience it has been divided into two parts. Part A contains much of the formalism required for the theoretical study of solids; Part B is oriented toward more specific problems. The present volume includes phenomenological treatments of lattice vibrations and magnetic order; a discussion of symmetry groups; and a description of the properties of one-electron wave functions and the principal techniques for calculating energy levels. Fairly lengthy bibliographies have been included at the end of each chapter to assist readers in making their way through the more specialized periodical literature. This book should be suitable as a textbook for students who have completed a one-year course in quantum mechanics and have some familiarity with the experimental facts of solid state physics. It should also be useful as a reference work.
A Modern Course In The Quantum Theory Of Solids
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Author : Fuxiang Han
language : en
Publisher: World Scientific
Release Date : 2013
A Modern Course In The Quantum Theory Of Solids written by Fuxiang Han and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with Science categories.
This book contains advanced subjects in solid state physics with emphasis on the theoretical exposition of various physical phenomena in solids using quantum theory, hence entitled "A modern course in the quantum theory of solids." The use of the adjective "modern" in the title is to reflect the fact that some of the new developments in condensed matter physics have been included in the book. The new developments contained in the book are mainly in experimental methods (inelastic neutron scattering and photoemission spectroscopy), in magnetic properties of solids (the itinerant magnetism, the superexchange, the Hubbard model, and giant and colossal magnetoresistance), and in optical properties of solids (Raman scattering). Besides the new developments, the Green's function method used in many-body physics and the strong-coupling theory of superconductivity are also expounded in great details.
Quantum Theory Of The Solid State
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Author : Joseph Callaway
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Quantum Theory Of The Solid State written by Joseph Callaway and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Quantum Theory of the Solid State, Student Edition, describes the concepts and methods, and introduces some of the central problems of the quantum theory of solids. It should be suitable as a textbook for students who have completed a one-year course in quantum mechanics and have some familiarity with the experimental facts of solid state physics. It should also be useful as a reference work. The book is organized into two parts. Part A contains much of the formalism required for the theoretical study of solids; Part B is oriented toward more specific problems. Thus, Part A includes phenomenological treatments of lattice vibrations and magnetic order, a discussion of symmetry groups, and a description of the properties of one-electron wave functions and the principal techniques for calculating energy levels. In Part B the machinery developed previously is applied to impurities, disordered systems, the effects of external fields, and transport phenomena (including superconductivity). The book concludes with an introduction to many-body theory, including some applications.