Quasiparticle Calculations For Solids And Molecules

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Quasiparticle Calculations For Solids And Molecules

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Author : Emmanouil Stylianos Kioupakis
language : en
Publisher:
Release Date : 2008

Quasiparticle Calculations For Solids And Molecules written by Emmanouil Stylianos Kioupakis and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with 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.

Solid State Physics

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Author :
language : en
Publisher: Academic Press
Release Date : 1999-10-25

Solid State Physics 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 1999-10-25 with Science categories.

Solid State Physics

Many Body Approach To Electronic Excitations

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Author : Friedhelm Bechstedt
language : en
Publisher: Springer
Release Date : 2014-12-01

Many Body Approach To Electronic Excitations written by Friedhelm Bechstedt and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-12-01 with Science categories.

The many-body-theoretical basis and applications of theoretical spectroscopy of condensed matter, e.g. crystals, nanosystems, and molecules are unified in one advanced text for readers from graduate students to active researchers in the field. The theory is developed from first principles including fully the electron-electron interaction and spin interactions. It is based on the many-body perturbation theory, a quantum-field-theoretical description, and Green's functions. The important expressions for ground states as well as electronic single-particle and pair excitations are explained. Based on single-particle and two-particle Green's functions, the Dyson and Bethe-Salpeter equations are derived. They are applied to calculate spectral and response functions. Important spectra are those which can be measured using photoemission/inverse photoemission, optical spectroscopy, and electron energy loss/inelastic X-ray spectroscopy. Important approximations are derived and discussed in the light of selected computational and experimental results. Some numerical implementations available in well-known computer codes are critically discussed. The book is divided into four parts: (i) In the first part the many-electron systems are described in the framework of the quantum-field theory. The electron spin and the spin-orbit interaction are taken into account. Sum rules are derived. (ii) The second part is mainly related to the ground state of electronic systems. The total energy is treated within the density functional theory. The most important approximations for exchange and correlation are delighted. (iii) The third part is essentially devoted to the description of charged electronic excitations such as electrons and holes. Central approximations as Hedin's GW and the T-matrix approximation are discussed.(iv) The fourth part is focused on response functions measured in optical and loss spectroscopies and neutral pair or collective excitations.

Transport Properties Of Molecular Junctions

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Author : Natalya A. Zimbovskaya
language : en
Publisher: Springer
Release Date : 2013-09-07

Transport Properties Of Molecular Junctions written by Natalya A. Zimbovskaya and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-09-07 with Technology & Engineering categories.

A comprehensive overview of the physical mechanisms that control electron transport and the characteristics of metal-molecule-metal (MMM) junctions. As far as possible, methods and formalisms presented elsewhere to analyze electron transport through molecules are avoided. This title introduces basic concepts--a description of the electron transport through molecular junctions—and briefly describes relevant experimental methods. Theoretical methods commonly used to analyze the electron transport through molecules are presented. Various effects that manifest in the electron transport through MMMs, as well as the basics of density-functional theory and its applications to electronic structure calculations in molecules are presented. Nanoelectronic applications of molecular junctions and similar systems are discussed as well. Molecular electronics is a diverse and rapidly growing field. Transport Properties of Molecular Junctions presents an up-to-date survey of the field suitable for researchers and professionals.

Theoretical Chemistry For Advanced Nanomaterials

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Author : Taku Onishi
language : en
Publisher: Springer Nature
Release Date : 2020-02-03

Theoretical Chemistry For Advanced Nanomaterials written by Taku Onishi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-03 with Science categories.

This book collects recent topics of theoretical chemistry for advanced nanomaterials from the points of view of both computational and experimental chemistry. It is written for computational and experimental chemists, including undergraduate students, who are working with advanced nanomaterials, where collaboration and interplay between computation and experiment are essential. After the general introduction of nanomaterials, several computational approaches are explained in Part II. Each chapter presents not only calculation methods but also concrete calculation results for advanced nanomaterials. Hydride ion conducting nanomaterials, high-k dielectric nanomaterials, and organic electronics are focused on. In Part III, the interplay between computational and experimental approaches is explained. The chapters show calculation results, combined with corresponding experimental data. Dimensionality of nanomaterials, electronic structure of oligomers and nanorods, carbon nanomaterials, and the electronic structure of a nanosized sandwich cluster is looked at carefully. In Part IV, functionality analysis is explained from the point of view of the experimental approach. The emphasis is on the mechanism of photoluminescence and hydrogen generation using silicon nanopowder, the superionic conducting mechanism of glass ceramics, nanoclusters formation on the surface of metal oxides, and the magnetic property of an organic one-dimensional nanochannel. Finally, forthcoming theoretical methods for excited states and quantum dynamics are introduced in Part V.

First Principles Approaches To Spectroscopic Properties Of Complex Materials

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Author : Cristiana Di Valentin
language : en
Publisher: Springer
Release Date : 2014-09-26

First Principles Approaches To Spectroscopic Properties Of Complex Materials written by Cristiana Di Valentin and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-09-26 with Technology & Engineering categories.

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. 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 are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Handbook Of Computational Chemistry

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Author : Jerzy Leszczynski
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-14

Handbook Of Computational Chemistry written by Jerzy Leszczynski 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 2012-01-14 with Computers categories.

This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.

Energy Storage And Conversion Materials

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Author : Ngoc Thanh Thuy Tran
language : en
Publisher: CRC Press
Release Date : 2023-05-03

Energy Storage And Conversion Materials written by Ngoc Thanh Thuy Tran and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05-03 with Technology & Engineering categories.

This book explores the fundamental properties of a wide range of energy storage and conversion materials, covering mainstream theoretical and experimental studies and their applications in green energy. It presents a thorough investigation of diverse physical, chemical, and material properties of rechargeable batteries, supercapacitors, solar cells, and fuel cells, covering the development of theoretical simulations, machine learning, high-resolution experimental measurements, and excellent device performance. Covers potential energy storage (rechargeable batteries and supercapacitors) and energy conversion (solar cells and fuel cells) materials Develops theoretical predictions and experimental observations under a unified quasi-particle framework Illustrates up-to-date calculation results and experimental measurements Describes successful synthesis, fabrication, and measurements, as well as potential applications and near-future challenges Promoting a deep understanding of basic science, application engineering, and commercial products, this work is appropriate for senior graduate students and researchers in materials, chemical, and energy engineering and related disciplines.

Comprehensive Semiconductor Science And Technology

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Author :
language : en
Publisher: Elsevier
Release Date : 2024-11-28

Comprehensive Semiconductor Science And Technology written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-11-28 with Technology & Engineering categories.

Semiconductors are at the heart of modern living. Almost everything we do, be it work, travel, communication, or entertainment, all depend on some feature of semiconductor technology. Comprehensive Semiconductor Science and Technology, Second Edition, Three Volume Set captures the breadth of this important field and presents it in a single source to the large audience who study, make, and use semiconductor devices. Written and edited by a truly international team of experts and newly updated to capture key advancements in the field, this work delivers an objective yet cohesive review of the semiconductor world.The work is divided into three sections, fully updated and expanded from the first edition. The first section is concerned with the fundamental physics of semiconductors, showing how the electronic features and the lattice dynamics change drastically when systems vary from bulk to a low-dimensional structure and further to a nanometer size. Throughout this section there is an emphasis on the full understanding of the underlying physics, especially quantum phenomena. The second section deals largely with the transformation of the conceptual framework of solid-state physics into devices and systems, which require the growth of high-purity or doped, bulk and epitaxial materials with low defect density and well-controlled electrical and optical properties. The third section is devoted to design, fabrication and assessment of discrete and integrated semiconductor devices. It will cover the entire spectrum of devices we see all around us, for telecommunications, computing, automation, displays, illumination and consumer electronics. - Provides a comprehensive global picture of the semiconductor world - Written and Edited by an international team of experts - Compiles the most important semiconductor knowledge into one comprehensive resource - Moves from fundamentals and theory to more advanced knowledge, such as applications, allowing readers to gain a deeper understanding of the field