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Theory Of The Inhomogeneous Electron Gas
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Book Synopsis Theory of the Inhomogeneous Electron Gas by : Stig Lundqvist
Download or read book Theory of the Inhomogeneous Electron Gas written by Stig Lundqvist and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of the inhomogeneous electron gas had its origin in the Thomas Fermi statistical theory, which is discussed in the first chapter of this book. This already leads to significant physical results for the binding energies of atomic ions, though because it leaves out shell structure the results of such a theory cannot reflect the richness of the Periodic Table. Therefore, for a long time, the earlier method proposed by Hartree, in which each electron is assigned its own personal wave function and energy, dominated atomic theory. The extension of the Hartree theory by Fock, to include exchange, had its parallel in the density description when Dirac showed how to incorporate exchange in the Thomas-Fermi theory. Considerably later, in 1951, Slater, in an important paper, showed how a result similar to but not identical with that of Dirac followed as a simplification of the Hartree-Fock method. It was Gombas and other workers who recognized that one could also incorporate electron correlation consistently into the Thomas-Fermi-Dirac theory by using uniform electron gas relations locally, and progress had been made along all these avenues by the 1950s.
Book Synopsis Many-body Theory of a Rapidly Varying Inhomogeneous Electron Gas by : John William Gadzuk
Download or read book Many-body Theory of a Rapidly Varying Inhomogeneous Electron Gas written by John William Gadzuk and published by . This book was released on 1968 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt: The case of an inhomogeneous electron gas within which the density variation is significant over a spatial range of the order of a Fermi wave-length is considered in this report. It is seen that for most systems of physical interest, this sort of non-uniformity is a result of diffraction effects. This is a fundamentally different phenomenon than can reasonably be treated by the density gradient method of Kohn for slowly varying inhomogeneous electron gases. Several sample cases are treated. The first considerations are directed towards the problem of a weak periodic potential in an interacting electron gas. The momentum-dependent self-energy is calculated for an electron propagating in the many-body medium of an electron gas plus a periodic lattice pseudo-potential. This is the equivalent of a quasi-particle energy spectrum and thus an orthogonalized plane wave energy band. It does not appear that the lattice drastically changes qualitative aspects of plane wave many-body theory. A dielectric formulation for a general inhomogeneous electron gas is presented. By introducing a new image technique, the dielectric function within the random phase approximation, which is valid in the surface region of an electron gas, is obtained. A Green's function formalism is developed for treating the static dielectric screening of a point impurity in an electron gas. The surface dielectric function is used with the impurity screening formalism to treat the problem of impurity screening in the surface region. This is an idealized model of ionic adsorption on metal surface. Screening charge densities resulting from volume polarization effects are calculated. From these results, it is seen why unjustifiable application of classical image forces in previous adsorption theories has fortunately produced reasonable results. A new method for obtaining the appropriate plasmon contribution to the electron self-energy in the surface region is developed. With these results, the electron gas surface potentials calculated by Loucks and Cutler are then improved.
Book Synopsis Molecules in Physics, Chemistry, and Biology by : Jean Maruani
Download or read book Molecules in Physics, Chemistry, and Biology written by Jean Maruani and published by Springer Science & Business Media. This book was released on 1988-12-31 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Book Synopsis Theory of the Inhomogeneous Electron Gas by : Stig Lundqvist
Download or read book Theory of the Inhomogeneous Electron Gas written by Stig Lundqvist and published by . This book was released on 1983 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Density Functional Theory by : Eberhard Engel
Download or read book Density Functional Theory written by Eberhard Engel and published by Springer Science & Business Media. This book was released on 2011-02-14 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.
Book Synopsis Energy Density Functional Theory of Many-Electron Systems by : Eugene S. Kryachko
Download or read book Energy Density Functional Theory of Many-Electron Systems written by Eugene S. Kryachko and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 862 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solid State Physics written by and published by Academic Press. This book was released on 1984-08-13 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid State Physics
Author :James R. Chelikowsky Publisher :Springer Science & Business Media ISBN 13 :9780792396666 Total Pages :580 pages Book Rating :4.3/5 (966 download)
Book Synopsis Quantum Theory of Real Materials by : James R. Chelikowsky
Download or read book Quantum Theory of Real Materials written by James R. Chelikowsky and published by Springer Science & Business Media. This book was released on 1996-02-29 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Festschrift in honor of Professor Marvin L. Cohen This volume is a Festschrift in honor of Professor Marvin L. Cohen. The articles, contributed by leading researchers in condensed matter physics, high-light recent advances in the use of quantum theory to explain and predict properties of real materials. The invention of quantum mechanics in the 1920's provided detailed descriptions of the electronic structure of atoms. However, a similar understanding of solids has been achieved only in the past 30 years, owing to the complex electron-ion and electron electron interactions in these systems. Professor Cohen is a central figure in this achievement. His development of the pseudopotential and total energy methods provided an alternate route using computers for the exploration of solids and new materials even when they have not yet been synthesized. Professor Cohen's contributions to materials theory have been both fundamental and encompassing. The corpus of his work consists of over 500 papers and a textbook. His band structures for semiconductors are used worldwide by researchers in solid state physics and chemistry and by device engineers. Professor Cohen's own use of his theories has resulted in the determination of the electronic structure, optical properties, structural and vibrational properties, and superconducting properties of numerous condensed matter systems including semiconductors, metals, surfaces, interfaces, defects in solids, clusters, and novel materials such as the fullerides and nanotubes.
Book Synopsis Many-body Theory of Molecules, Clusters, and Condensed Phases by : Norman Henry March
Download or read book Many-body Theory of Molecules, Clusters, and Condensed Phases written by Norman Henry March and published by World Scientific. This book was released on 2010 with total page 913 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive review of seminal as well as recent results in the theory of condensed phases, including liquid metals, quantum liquids and Wigner crystals, along with selected applications, especially in the physical chemistry of molecules and clusters. A large part of this work is dedicated to the Thomas-Fermi semiclassical approximation for molecules and condensed phases, and its extension to inhomogeneous electron liquids and liquid metals. Correlation effects in quantum liquids and Wigner crystallization are other areas of focus of this work, with an emphasis towards the effect of low dimensionality and magnetic fields. The volume is a collection of reprints by N H March and collaborators over five decades. Sample Chapter(s). Chapter 1: Kinetic and Potential Energies of an Electron Gas (761 KB). Contents: Quantal Electron Crystals; Structure, Forces and Electronic Correlation Functions in Liquid Metals: Nuclear Structure Factor and Pair Potentials in Some sp Liquid Metals; Electronic Correlation Functions in Liquid Metals; One-Body Potential Theory of Molecules and Condensed Matter: ThomasOCoFermi Semiclassical Approximation; Transcending ThomasOCoFermi Theory; Applications of One-Body Potential Theory: Local and Non-local. Readership: Graduate students, researchers and academics in theoretical physics; condensed matter theorists and quantum chemists."
Book Synopsis Electrons In Metals And Alloys by : J. A. Alonso
Download or read book Electrons In Metals And Alloys written by J. A. Alonso and published by Academic Press. This book was released on 2012-12-02 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a broad review of the electronic structure of metals and alloys. It emphasises the way in which the behavior of electrons in these materials governs the thermodynamic and other properties of these conducting materials. The theoretical treatment proceeds from a wave mechanics approach to more sophisticated techniques for the description of the properties of metals and alloys.
Book Synopsis Quantum Theory of the Electron Liquid by : Gabriele Giuliani
Download or read book Quantum Theory of the Electron Liquid written by Gabriele Giuliani and published by Cambridge University Press. This book was released on 2008-06-19 with total page 779 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern electronic devices and novel materials often derive their extraordinary properties from the intriguing, complex behavior of large numbers of electrons forming what is known as an electron liquid. This book provides an in-depth introduction to the physics of the interacting electron liquid in a broad variety of systems, including metals, semiconductors, artificial nano-structures, atoms and molecules. One, two and three dimensional systems are treated separately and in parallel. Different phases of the electron liquid, from the Landau Fermi liquid to the Wigner crystal, from the Luttinger liquid to the quantum Hall liquid are extensively discussed. Both static and time-dependent density functional theory are presented in detail. Although the emphasis is on the development of the basic physical ideas and on a critical discussion of the most useful approximations, the formal derivation of the results is highly detailed and based on the simplest, most direct methods.
Book Synopsis Density Functional Methods In Physics by : Reiner M. Dreizler
Download or read book Density Functional Methods In Physics written by Reiner M. Dreizler and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Electronics by : Dragica Vasileska
Download or read book Computational Electronics written by Dragica Vasileska and published by CRC Press. This book was released on 2017-12-19 with total page 866 pages. Available in PDF, EPUB and Kindle. Book excerpt: Starting with the simplest semiclassical approaches and ending with the description of complex fully quantum-mechanical methods for quantum transport analysis of state-of-the-art devices, Computational Electronics: Semiclassical and Quantum Device Modeling and Simulation provides a comprehensive overview of the essential techniques and methods for effectively analyzing transport in semiconductor devices. With the transistor reaching its limits and new device designs and paradigms of operation being explored, this timely resource delivers the simulation methods needed to properly model state-of-the-art nanoscale devices. The first part examines semiclassical transport methods, including drift-diffusion, hydrodynamic, and Monte Carlo methods for solving the Boltzmann transport equation. Details regarding numerical implementation and sample codes are provided as templates for sophisticated simulation software. The second part introduces the density gradient method, quantum hydrodynamics, and the concept of effective potentials used to account for quantum-mechanical space quantization effects in particle-based simulators. Highlighting the need for quantum transport approaches, it describes various quantum effects that appear in current and future devices being mass-produced or fabricated as a proof of concept. In this context, it introduces the concept of effective potential used to approximately include quantum-mechanical space-quantization effects within the semiclassical particle-based device simulation scheme. Addressing the practical aspects of computational electronics, this authoritative resource concludes by addressing some of the open questions related to quantum transport not covered in most books. Complete with self-study problems and numerous examples throughout, this book supplies readers with the practical understanding required to create their own simulators.
Book Synopsis Molecular Interactions by : David A. Micha
Download or read book Molecular Interactions written by David A. Micha and published by John Wiley & Sons. This book was released on 2020-01-02 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: A modern, comprehensive text and reference describing intermolecular forces, this book begins with coverage of the concepts and methods for simpler systems, then moves on to more advanced subjects for complex systems – emphasizing concepts and methods used in calculations with realistic models and compared with empirical data. Contains applications to many physical systems and worked examples Proceeds from introductory material to advanced modern treatments Has relevance for new materials, biological phenomena, and energy and fuels production
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1979 with total page 1074 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Density Functional Theory of Molecules, Clusters, and Solids by : D.E. Ellis
Download or read book Density Functional Theory of Molecules, Clusters, and Solids written by D.E. Ellis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.
Book Synopsis Catalysis and Electrocatalysis at Nanoparticle Surfaces by : Andrzej Wieckowski
Download or read book Catalysis and Electrocatalysis at Nanoparticle Surfaces written by Andrzej Wieckowski and published by CRC Press. This book was released on 2003-02-19 with total page 970 pages. Available in PDF, EPUB and Kindle. Book excerpt: Illustrating developments in electrochemical nanotechnology, heterogeneous catalysis, surface science and theoretical modelling, this reference describes the manipulation, characterization, control, and application of nanoparticles for enhanced catalytic activity and selectivity. It also offers experimental and synthetic strategies in nanoscale surface science. This standard-setting work clariefies several practical methods used to control the size, shape, crystal structure, and composition of nanoparticles; simulate metal-support interactions; predict nanoparticle behavior; enhance catalytic rates in gas phases; and examine catalytic functions on wet and dry surfaces.
