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Computational Methods In Band Theory
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Book Synopsis Computational Methods in Band Theory by : Paul M. Marcus
Download or read book Computational Methods in Band Theory written by Paul M. Marcus and published by Springer Science & Business Media. This book was released on 2013-03-13 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains the papers presented at the Conference on Computational Methods in Band Theory sponsored jointly by IBM and the American Physical Society and held at the IBM Thomas J. Watson Research Center, Yorktown Heights, New York, on May 14-15, 1970. The purpose of the conference was a sharing of information on the computational problems involved in relating models for the electron-electron and electron-ion interactions to experimentally measurable quantities. The papers comprising this volume therefore present up-to-date methodology for the calculation of single-particle energies and wave functions for periodic and near-periodic systems, the integration over these states required to describe experiment, and computationally practicable procedures for the introduction of exchange and correlation and the achievement of self-consistency. The proceedings is actually an expansion of the conference in that, unlike the oral presentations, the papers were not limited as to length. Furthermore, time was allowed after the conference to permit the papers to be written with the conference in retrospect, and five "prepared discussion" papers written by attendees of the conference but not on the original program are included. The latter are indicated in the table of contents by asterisks. The explicit emphasis of the conference on comparison of technique generated much lively argument, which is surely an indi cation of the current interest in the subject and the vigor of those working in it. It is our hope that the proceedings will make these comparisons available to the widest possible audience.
Book Synopsis Computational Methods in Band Theory by : Paul M Marcus
Download or read book Computational Methods in Band Theory written by Paul M Marcus and published by . This book was released on 1971-01-01 with total page 598 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Methods in Condensed Matter: Electronic Structure by : A.A. Katsnelson
Download or read book Computational Methods in Condensed Matter: Electronic Structure written by A.A. Katsnelson and published by Springer Science & Business Media. This book was released on 1992-03-02 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Blurb & Contents" This current and comprehensive treatment of the physics of small- amplitude waves in hot magnetized plasmas provides a thorough update of the author's classic Theory of Plasma Waves. New topics include quasi-linear theory, inhomogeneous plasmas, collisions, absolute and convective instability, and mode conversion. Valuable for graduates and advanced undergraduates and an indispensable reference work for researchers in plasmas, controlled fusion, and space science.
Book Synopsis Computational Methods in Solid State Physics by : V V Nemoshkalenko
Download or read book Computational Methods in Solid State Physics written by V V Nemoshkalenko and published by CRC Press. This book was released on 1999-02-19 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: The combination of theoretical physics methods, numerical mathematics and computers has given rise to a new field of physics known as "computational physics." The purpose of this monograph is to present the various methods of computational physics, in particular the methods of band theory. The first chapter of the book provides an introduction to the field and presents the theoretical foundations of band theory. In the second and third chapters the authors describe both traditional and more modern methods of band theory and include practical recommendations for their use. Methods which are discussed include APW (augmented plane wave), Green's function method, LMTO (linear method of MT- orbitals), LKKR (linear Korringer, Kohn and Rostocker method), LAPW (linear augmented plane wave), ASW (augmented spherical waves), and LASO (linear method of augmented Slater orbitals). Great attention is paid to the practical aspects of these theories and the book is structured in such a way as to enable the reader to use any method in practice without reference to other sources.
Book Synopsis Band Structure of Semiconductors by : I. M. Tsidilkovski
Download or read book Band Structure of Semiconductors written by I. M. Tsidilkovski and published by Elsevier. This book was released on 2016-10-19 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: Band Structure of Semiconductors provides a review of the theoretical and experimental methods of investigating band structure and an analysis of the results of the developments in this field. The book presents the problems, methods, and applications in the study of band structure. Topics on the computational methods of band structure; band structures of important semiconducting materials; behavior of an electron in a perturbed periodic field; effective masses and g-factors for the most commonly encountered band structures; and the treatment of cyclotron resonance, Shubnikov-de Haas oscillations, magnetophonon resonance, and magneto-optical phenomena are discussed. Experimental physicists, theoretical physicists, students and research workers, and engineers working in the field of semiconductor electronics will find this book a great source of vital information.
Book Synopsis Semiempirical Methods of Electronic Structure Calculation by : Gerald Segal
Download or read book Semiempirical Methods of Electronic Structure Calculation written by Gerald Segal and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees of freedom, and molecules containing the higher elements of the periodic table remain virtually untouched due to the large numbers of electrons involved. Almost the entire class of molecules of real biological interest is simply out of the question. In general, the theoretician is reduced to model systems of variable appositeness in most of these fields. The fundamental problem, from a basic computational point of view, is that large molecules require large numbers of basis functions, whether Slater type orbitals or Gaussian functions suitably contracted, to provide even a modestly accurate description of the molecular electronic environment. This leads to the necessity of dealing with very large matrices and numbers of integrals within the Hartree-Fock approximation and quickly becomes both numerically difficult and uneconomic.
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1972-07-31 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry
Book Synopsis Electrons and Phonons in Layered Crystal Structures by : T.J. Wieting
Download or read book Electrons and Phonons in Layered Crystal Structures written by T.J. Wieting and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 483 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is devoted to the electron and phonon energy states of inorganic layered crystals. The distinctive feature of these low-dimensional materials is their easy mechanical cleavage along planes parallel to the layers. This feature implies that the chemical binding within each layer is much stronger than the binding between layers and that some, but not necessarily all, physical properties of layered crystals have two-dimensional character. In Wyckoff's Crystal Structures, SiC and related com pounds are regarded as layered structures, because their atomic layers are alternately stacked according to the requirements of cubic and hexagonal close-packing. How ever, the uniform (tetrahedral) coordination of the atoms in these compounds excludes the kind of structural anisotropy that is fundamental to the materials dis cussed in this volume. An individual layer of a layered crystal may be composed of either a single sheet of atoms, as in graphite, or a set of up to five atomic sheets, as in Bi2 Te3' A layer may also have more complicated arrangements of the atoms, as we find for example in Sb S . But the unique feature common to all these materials is 2 3 the structural anisotropy, which directly affects their electronic and vibrational properties. The nature of the weak interlayer coupling is not very well understood, despite the frequent attribution of the coupling in the literature to van der Waals forces. Two main facts, however, have emerged from all studies.
Book Synopsis Computational Methods for Nanoscale Applications by : Igor Tsukerman
Download or read book Computational Methods for Nanoscale Applications written by Igor Tsukerman and published by Springer Nature. This book was released on 2020-08-21 with total page 725 pages. Available in PDF, EPUB and Kindle. Book excerpt: Positioning itself at the common boundaries of several disciplines, this work provides new perspectives on modern nanoscale problems where fundamental science meets technology and computer modeling. In addition to well-known computational techniques such as finite-difference schemes and Ewald summation, the book presents a new finite-difference calculus of Flexible Local Approximation Methods (FLAME) that qualitatively improves the numerical accuracy in a variety of problems.
Book Synopsis The LMTO Method by : Hans L. Skriver
Download or read book The LMTO Method written by Hans L. Skriver and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The simplifications of band-structure calculations which are now referred to as linear methods were introduced by Ole K. Andersen almost ten years ago. Since then these ideas have been taken up by several workers in the field and translated into computer programmes that generate the band structure of almost any material. As a result, running times on computers have been cut by orders of magnitude. One of the strong motivations behind the original proposal was a desire to give the conventional methods' a physically meaningful content which could be understood even by the non-specialist. Unfortunately, this aspect of lin ear methods seems to have been less well appreciated, and most workers are content to use the latter as efficient computational schemes. The present book is intended to give a reasonably complete description of one particular linear method, the Linear Muffin-Tin Orbital (LMTO) method, without losing sight of the physical content of the technique. It is also meant as a guide to the non-specialist who wants to perform band-structure calculations of his own, for example, to interpret experimental results. For this purpose the book contains a set of computer programmes which allow the user to perform full-scale self-consistent band-structure calculations by means of the LMTO method. In addition, it contains a listing of self-con sistent potential parameters which, for instance, may be used to generate the energy bands of metallic elements.
Book Synopsis The Chemical Structure of Solids by : N. Hannay
Download or read book The Chemical Structure of Solids written by N. Hannay and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electrons in Finite and Infinite Structures by : P. Phariseau
Download or read book Electrons in Finite and Infinite Structures written by P. Phariseau and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains the transcripts of the lectures presented at the NATO Advanced Study Institute on "Electrons in Finite and Infinite Structures," held at the State University of Ghent, Belgium, August 30-September 11, 1976. Over the last few years substantial progress has been made in the description and the understanding of the behavior of electrons in extended bodies. This includes the study of the energy spectrum of electrons in large molecules, perfect as well as imperfect crys tals, and disordered alloys. Not only local potential techniques but also the many-body aspects are discussed in detail. As atomic, molecular, and solid state physics involve common techniques and insights, we believe that physicists and chemists active in these fields have benefited from these lectures and the interchange of ideas during the course. The aim of the Institute was to familiarize young scientists in the field with the current state of the art and to indicate in which areas advances may be expected in the near future. The A.S.I. consisted of two parts: detailed instructional and review lectures over the whole period and some evening sessions where the partici pants were offered the opportunity to present their own work and discuss their ideas with senior scientists. Since the Institute took place a few weeks after Prof. Dr. John C. Slater was suddenly taken from our scientific community, it was a great honor for us to dedicate this course, on behalf of the organizing committee, to the late John C. Slater.
Download or read book Solid State Physics written by and published by Academic Press. This book was released on 1980-09-01 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid State Physics
Book Synopsis Electron Spectroscopy of Crystals by : V. Nemoshkalenko
Download or read book Electron Spectroscopy of Crystals written by V. Nemoshkalenko and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is conceived as a monograph, and represents an up-to-date collection of information concerning the use of the method of X-ray photoelectron spec troscopy in the study of the electron structure of crystals, as well as a personal interpretation of the subject by the authors. In a natural way, the book starts in Chapter 1 with a recapitulation of the fundamentals of the method, basic relations, principles of operation, and a com parative presentation of the characteristics and performances of the most com monly used ESCA instruments (from the classical ones-Varian, McPherson, Hewlett Packard, and IEEE-up to the latest model developed by Professor Siegbahn in Uppsala), and continues with a discussion of some of the difficult problems the experimentalist must face such as calibration of spectra, prepara tion of samples, and evaluation of the escape depth of electrons. The second chapter is devoted to the theory of photoemission from crystal line solids. A discussion of the methods of Hartree-Fock and Hartree-Fock Slater for the calculation of bonding energy levels in multielectronic systems is presented, and the necessity of including in the theory both relativistic and relaxation effects is argued.
Book Synopsis 国立国会図書館所蔵科学技術関係欧文会議錄目錄 by : 国立国会図書館 (Japan)
Download or read book 国立国会図書館所蔵科学技術関係欧文会議錄目錄 written by 国立国会図書館 (Japan) and published by . This book was released on 1972 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :Library of Congress. Copyright Office Publisher :Copyright Office, Library of Congress ISBN 13 : Total Pages :1040 pages Book Rating :4.F/5 ( download)
Book Synopsis Catalog of Copyright Entries. Third Series by : Library of Congress. Copyright Office
Download or read book Catalog of Copyright Entries. Third Series written by Library of Congress. Copyright Office and published by Copyright Office, Library of Congress. This book was released on 1973 with total page 1040 pages. Available in PDF, EPUB and Kindle. Book excerpt:
