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.
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:
Download or read book COMPUTATIONAL METHODS IN BAND THEORY PROCEEDINGS OF A CONFERENCE JOINTLY SPONSORED BY IBM AND THE AMERICAN PHYSICAL SOCIETY written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Methods in Band Theory written by P.M. Marcus and published by . This book was released on 1971 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Methods in Band Theory written by P. M. Marcus and published by . This book was released on 1971 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
Download or read book Computational Methods in Band Theory Proceedings of a Conference Held at the IBM Thomas J Watson Research Center Yorktown Heights New York May 14 15 1970 written by IBM Thomas J Watson Research Center and published by . This book was released on 1971 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational methods in band theory proceedings of a conference held at the IBM Thomas J Waston Research Center Yorktown Heights New York May 14 15 1970 under the joint sponsorship of IBM and the American Physical Society written by P. M. Marcus and published by . This book was released on 1971 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Methods in Band Theory written by P. M. Marcus and published by . This book was released on 1971 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book COMPUTATIONAL METHODS IN BAND THEORY PROCEEDINGS OF A CONFERENCE HELD AT THE IBM THOMAS J WATSON RESEARCH CENTER YORKTOWN HEIGHTS N Y MAY 14 15 1970 UNDER THE JOINT SPONSORSHIP OF IBM AND THE AMERICAN PHYS SOC written by and published by . This book was released on 1971 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
Download or read book Computational Methods for Large Molecules and Localized States in Solids written by F. Herman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 387 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the past few years, there has been dramatic progress in theoretical and computational studies of large molecules and local ized states in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic states. In creasingly, solid state physicists are adopting a molecular point of view in attempting to understand the nature of electronic states associated with (a) isolated structural and chemical defects in solids; (b) surfaces and interfaces; and (c) bulk disordered solids, most notably amorphous semiconductors. Moreover, many concepts and methods already widely used in solid state physics are being adapted to molecular problems. These adaptations include pseudopotentials, statistical exchange approxi mations, muffin-tin model potentials, and multiple scattering and cellular methods. In addition, many new approaches are being de vised to deal with progressively more complex molecular and local ized electronic state problems.
Download or read book Computational Methods for Large Systems written by Jeffrey R. Reimers and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.
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.
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
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 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.
