Download or read book Augmented Plane Wave Method written by Terry L. Loucks and published by . This book was released on 1967 with total page 280 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 Relativistic Effects in Atoms Molecules and Solids written by G.L. Malli and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 539 pages. Available in PDF, EPUB and Kindle. Book excerpt: The NATO Advanced Study Institute (ASI) on "Relativistic Effects in Atoms, Molecules and Solids" cosponsored by Simon Fraser University (SFU) and Natural Sciences and Engineering Research Council of Canada (NSERC) was held at the University of British Columbia (UBC) , Van couver, Canada from August 10th until August 21st, 1981. A total of 77 lecturers and students with diverse backgrounds in Chemistry, Physics, Mathematics and various interdisciplinary subjects attended the ASI. In the proposal submitted to NATO for financial support for this ASI, it was suggested that recent impressive experimental developments coupled with the availability of sophisticated computer technology for detailed investigation of the relativistic structure of atoms, molecules and solids would provide an excellent testing ground for the validity and accuracy of the theoretical treatment of the rela tivistic many-electron systems involving medium and heavy atoms. Such systems are also of interest to the current energy crisis because of their usage for photovoltaic devices, nuclear fuels (UF6), fusion lasers (Xe*2)' catalysts for solar energy conversion, etc.
Download or read book Solid State Physics written by and published by Academic Press. This book was released on 1971-08-20 with total page 511 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid State Physics
Download or read book Relativistic Theory of Atoms and Molecules written by Pekka Pyykkö and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Relativistic Methods for Chemists written by Maria Barysz and published by Springer Science & Business Media. This book was released on 2010-04-15 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: “Relativistic Methods for Chemists”, written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy element’s chemistry. The theoretical part of the book focuses on the relativistic methods for molecular calculations discussing relativistic two-component theory, density functional theory, pseudopotentials and correlations. The experimentally oriented chapters describe the use of relativistic methods in different applications focusing on the design of new materials based on heavy element compounds, the role of the spin-orbit coupling in photochemistry and photobiology, and chirality and its relations to relativistic description of matter and radiation. This book is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory.
Download or read book Quantum Chemistry of Nanotubes written by Pavel N. D'yachkov and published by CRC Press. This book was released on 2019-06-25 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives a detailed and up-to-date overview of the linearized augmented cylindrical wave (LACW) technique for nanotubes and nanowires. The author presents the mathematical foundations together with numerous applications. Method for calculating the electronic structure of point impurities, which is based on a combination of the LACW and Green’s functions techniques, is presented. The book clearly demonstrates how the relativistic effects can be incorporated into LACW approach and how the spin-orbit coupling effects change the tubules band structure. Extensive illustrations of application to the inorganic nanotubes and nanowires make the book essential reading in this field above all.
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 Scientific and Technical Aerospace Reports written by and published by . This book was released on 1968 with total page 1116 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Download or read book The Physics of Solids written by John Boyd Ketterson and published by Oxford University Press. This book was released on 2016 with total page 1053 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a broad coverage of the physical properties of solids at fundamental level. The quantum mechanical origins that lead to a wide range of observed properties are discussed. The book also includes a modern treatment of unusual physical states.
Download or read book W Tungsten written by Gerhard Czack and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The volume describes physical properties of tungsten metal and covers specifically surface properties, electron emission, and field evaporation. Tungsten surfaces are probably the most extensively studied metal surfaces. Recently, experimentalists and theorists have focussed their interest on the atomic structure, lattice dynamics, and electronic properties of the W(100) surface. While the structure of the reconstructed low-temperature surface is well established, there are still unresolved problems concerning the structure at and above room temperature, the nature of the phase transition, and the driving force for the reconstruction. There are numerous and partly conflicting data on the surface energy, the self-diffusion parameters, and the work function of single-crystal and polycrystal tungsten surfaces. Electron emission, which is of fundamental importance for many applications, comprises thermionic, field, photofield, and photoelectric emission as well as emission induced by impinging electrons, atoms, or ions. Pioneering work in areas like thermionic or field emission is comprehensively discussed. Very recent studies of valence-band and core-level spectra moreover provide detailed information on intrinsic surface properties.
Download or read book Field Thermionic and Secondary Electron Emission Spectroscopy written by A. Modinos and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gold Chemistry written by Mohr and published by John Wiley & Sons. This book was released on 2009-03-12 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by world-class authors, this most recent major book on the topic highlights new and current trends as well as future directions. It is comprehensive in its scope, covering all aspects of gold chemistry -- from homogeneous to heterogeneous catalysis, from supramolecular assemblies to sensors and medicinal applications. The result is an invaluable work for both organic and inorganic chemists working in universities and industry, as well as material scientists.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1975-03 with total page 988 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Journal of the Physical Society of Japan written by and published by . This book was released on 2007 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Metal Ligand Interactions in Chemistry Physics and Biology written by N. Russo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 459 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Study Institute, held in Cetraro (CS) Italy, from 1-12 September 1998
