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Books on the topic 'Free Electron Model Calculations'

Author: Grafiati

Published: 7 September 2023

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1

Hierarchic electrodynamics and free electron lasers: Concepts, calculations, and practical applications. Boca Raton, FL: Taylor & Francis, 2011.

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2

1938-, Kumar Vijay, Andersen O. K, Mookerjee Abhijit 1946-, and Working Group on "Disordered Alloys" (1992 : ICTP, Trieste, Italy), eds. Lectures on Methods of electronic structure calculations: Proceedings of the Miniworkshop on "Methods of Electronic Structure Calculations" and Working Group on "Disordered Alloys" : ICTP, Trieste, Italy, 10 August-4 September 1992. Singapore: World Scientific, 1994.

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3

Dyall, Kenneth G., and Knut Faegri. Introduction to Relativistic Quantum Chemistry. Oxford University Press, 2007. http://dx.doi.org/10.1093/oso/9780195140866.001.0001.

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This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.

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4

Kulish, Victor. Hierarchic Electrodynamics and Free Electron Lasers: Concepts, Calculations, and Practical Applications. Taylor & Francis Group, 2013.

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5

Kulish, Victor V. Hierarchic Electrodynamics and Free Electron Lasers: Concepts, Calculations, and Practical Applications. Taylor & Francis Group, 2018.

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6

Kulish, Victor V. Hierarchic Electrodynamics and Free Electron Lasers: Concepts, Calculations, and Practical Applications. Taylor & Francis Group, 2017.

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7

Kulish, Victor V. Hierarchic Electrodynamics and Free Electron Lasers: Concepts, Calculations, and Practical Applications. Taylor & Francis Group, 2018.

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8

Kulish, Victor V. Hierarchic Electrodynamics and Free Electron Lasers: Concepts, Calculations, and Practical Applications. Taylor & Francis Group, 2018.

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9

Kulish, Victor V. Hierarchic Electrodynamics and Free Electron Lasers: Concepts, Calculations, and Practical Applications. Taylor & Francis Group, 2018.

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10

Solymar, L., D. Walsh, and R. R. A. Syms. The free electron theory of metals. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198829942.003.0006.

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The model of the free electron theory is presented. The density of states and the Fermi–Dirac distribution function are discussed, leading to the specific heat of the electrons, the work function, thermionic emission, and the Schottky effects. As examples of applications the field-emission microscope and quartz–halogen lamps are discussed. The photoelectric effect and the energy diagrams relating to the junction between two metals are also discussed.

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11

Anderson, O. K., and V. Kumar. Lectures on Methods of Electronic Structure Calculations: Proceedings of the Miniworkshop on "Methods of Electronic Structure Calculations" and Work. World Scientific Pub Co Inc, 1995.

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12

Smith, Dean A. The demonstration of electron-transfer reactions and their effect on model lignin condensation reactions under alkaline pulping conditions. 1986.

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13

Glazov, M. M. Electron Spin Decoherence by Nuclei. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198807308.003.0007.

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The discussion of the electron spin decoherence and relaxation phenomena via the hyperfine interaction with host lattice spins is presented here. The spin relaxation processes processes limit the conservation time of spin states as well as the response time of the spin system to external perturbations. The central spin model, where the spin of charge carrier interacts with the bath of nuclear spins, is formulated. We also present different methods to calculate the spin dynamics within this model. Simple but physically transparent semiclassical treatment where the nuclear spins are considered as largely static classical magnetic moments is followed by more advanced quantum mechanical approach where the feedback of electron spin dynamics on the nuclei is taken into account. The chapter concludes with an overview of experimental data and its comparison with model calculations.

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14

Thygesen, K. S., and A. Rubio. Correlated electron transport in molecular junctions. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533046.013.23.

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This article focuses on correlated electron transport in molecular junctions. More specifically, it considers how electronic correlation effects can be included in transport calculations using many-body perturbation theory within the Keldysh non-equilibrium Green’s function formalism. The article uses the GW self-energy method (G denotes the Green’s function and W is the screened interaction) which has been successfully applied to describe quasi-particle excitations in periodic solids. It begins by formulating the quantum-transport problem and introducing the non-equilibrium Green’s function formalism. It then derives an expression for the current within the NEGF formalism that holds for interactions in the central region. It also combines the GW scheme with a Wannier function basis set to study electron transport through two prototypical junctions: a benzene molecule coupled to featureless leads and a hydrogen molecule between two semi-infinite platinum chains. The results are analyzed using a generic two-level model of a molecular junction.

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15

Campbell, John, Joey Huston, and Frank Krauss. QCD at Fixed Order: Technology. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780199652747.003.0003.

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This chapter is devoted to the technology of fixed-order calculations, in particular, in QCD. After a short summary of methods for the efficient evaluation of tree-level scattering amplitudes for multi-particle production, and their integration in phase space, next-to leading order corrections in QCD are addressed. Techniques for the evaluation of loop amplitudes with modern methods, based on the reduction to master integrals, either analytically or with numerical unitarity cut methods, are discussed in some detail. After identifying the problem of infrared divergences and illuminating their treatment with a toy model, Catani-Seymour subtraction is explicitly introduced and exemplified for two cases, namely inclusive hadron production in electron-positron annihilation and inclusive W boson production in hadron collisions. This chapter concludes with some remarks concerning the rapidly developing field of next-to-next-to leading order calculations.

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16

Oshiyama, Atsushi, and Susumu Okada. Roles of shape and space in electronic properties of carbon nanomaterials. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533053.013.3.

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This article examines how internal space and boundary shapes affect the electronic properties of carbon nanomaterials by conducting total-energy electronic-structure calculations based on the density-functional theory. It first considers the existence of nanospace in carbon peapods before discussing boundaries in planar and tubular nanostructures. It also describes double-walled nanotubes, defects in carbon nanotubes, and hybrid structures of carbon nanotubes. Finally, it discusses the magnetic properties of zigzag-edged graphene ribbons and carbon nanotubes as well as the essential role of the edge state. The article shows that both space and peas (fullerenes) are decisive in electronic properties. In carbon peapods, nearly free-electron states occurring in the internal space hybridize with carbon orbitals and then make the peapod a new multicarrier system. The edge state belongs to a new class of electron states that is inherent to zigzag borders in hexagonally bonded networks.

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17

Zhang, H. Mesoscopic Structures and Their Effects on High-Tc Superconductivity. Edited by A. V. Narlikar. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780198738169.013.12.

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This article presents the results of model calculations carried out to determine the mesoscopic structural features of high-temperature superconducting (HTS) crystal structures, and especially their characteristic high critical temperature (Tc) and anisotropy. The crystal structure of high-temperature superconductors (HTSc) is unique in having some mesoscopic features. For example, the structures of a majority of cuprite superconductors are comprised of two structural blocks, perovskite and rock salt, stacked along the c-direction. This article calculates the interaction between the perovskite and rock salt blocks in the form of combinative energy in order to elucidate the effects of mesoscopic structures on high-Tc superconductivity. Both X-ray diffraction and Raman spectroscopy show that a ‘fixed triangle’ exists in the samples under investigation. The article also examines the importance of electron–phonon coupling in high-Tc superconductors.

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18

Peet, Deborah J., Patrick Horton, Colin J. Martin, and David G. Sutton. Radiotherapy: external beam radiotherapy. Oxford University Press, 2015. http://dx.doi.org/10.1093/med/9780199655212.003.0019.

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Design principles for radiotherapy facilities using X-ray, γ‎-ray, and electron beams are described, especially the requirements for primary and secondary shielding and maze and door entrances. These features are illustrated with reference to the shielded rooms (bunkers) required for linear accelerators, and example calculations are included for shielding and maze design to achieve required dose constraints. The impact of new clinical practices with intensity modulated radiation fields and flattening filter-free operation is also considered. Engineering controls and features for safe operation are described, and good practice in bunker construction and the provision of services to avoid weaknesses in the shielding is outlined. The principle shielding requirements for TomoTherapyTM, CyberKnifeTM, Gamma KnifeTM units, and kilovoltage X-ray units are also described. Finally, personnel monitoring, commissioning surveys, and environmental monitoring in radiation protection management in radiotherapy are discussed. Data for calculating shielding thickness and X-ray scatter for maze design are provided.

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19

van Houselt, Arie, and Harold J. W. Zandvliet. Self-organizing atom chains. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533046.013.9.

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This article examines the intriguing physical properties of nanowires, with particular emphasis on self-organizing atom chains. It begins with an overview of the one-dimensional free electron model and some interesting phenomena of one-dimensional electron systems. It derives an expression for the 1D density of states, which exhibits a singularity at the bottom of the band and extends the free-electron model, taking into consideration a weak periodic potential that is induced by the lattice. It also describes the electrostatic interactions between the electrons and goes on to discuss two interesting features of 1D systems: the quantization of conductance and Peierls instability. Finally, the article presents the experimental results of a nearly ideal one-dimensional system, namely self-organizing platinum atom chains on a Ge(001) surface, focusing on their formation, quantum confinement between the Pt chains and the occurrence of a Peierls transition within the chains.

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20

Solymar, Laszlo, Donald Walsh, and Richard R. A. Syms. Electrical Properties of Materials. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198829942.001.0001.

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A classic text in the field providing a readable and accessible guide for students of electrical and electronic engineering. Fundamentals of electric properties of materials are illustrated and put into context with contemporary applications in engineering. Mathematical content is kept to a minimum allowing the reader to focus on the subject. The starting point is the behaviour of the electron, which is explored both in the classical and in the quantum-mechanical context. Then comes the study of bonds, the free electron model, band structure, and the theory of semiconductors, followed by a chapter on semiconductor devices. Further chapters are concerned with the fundamentals of dielectrics, magnetic materials, lasers, optoelectronics, and superconductivity. The last chapter is on metamaterials, which has been a quite popular subject in the past decade. The book includes problems, the worked solutions are available in a separate publication: Solutions manual for electrical properties of materials. There is an appendix giving a list of Nobel Prize winners whose work was crucial for describing the electric properties of materials, and there are further appendices giving descriptions of phenomena which did not fit easily within the main text. In particular there is a quite detailed appendix that summarizes the properties of memory elements. The book is ideal for undergraduates, and is also an invaluable reference for graduate students and others wishing to explore this rapidly changing field.

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