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Author : Tapio T. Rantala
Publisher :
ISBN 13 :
Total Pages : 54 pages
Book Rating : 4.:/5 (42 download)
Download or read book Local-density Electronic Structure Calculations on the Spectra and Reactivity of Metals written by Tapio T. Rantala and published by . This book was released on 1987 with total page 54 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : E. Derouane
Publisher : Springer Science & Business Media
ISBN 13 : 1468427962
Total Pages : 636 pages
Book Rating : 4.4/5 (684 download)
Download or read book Electronic Structure and Reactivity of Metal Surfaces written by E. Derouane and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Imagine that a young physicist would approach a granting agen cy and propose to contribute to heterogeneous catalysis by studying the heat conductivity of gases in contact with a hot filament. How would he be received now? How would he have been treated sixty years ago ? Yet, more than sixty years ago, Irving Langmuir, through his study of heat transfer from a tungsten filament, uncovered most of the fundamental ideas which are used to-day by the scientific com munity in pure and applied heterogeneous catalysis. Through his work with what were for the first time "clean" metal surfaces, Langmuir formulated during a period of a little over ten years un til the early thirties, the concepts of chemisorption, monolayer, adsorption sites, adsorption isotherm, sticking probability, cata lytic mechanisms by way of the interaction between chemisorbed spe cies, behavior of non-uniform surfaces and repulsion between adsor bed dipoles. It is fair to say that many of these ideas constituting the first revolution in surface chemistry have since been refined through thousands of investigations. Countless papers have been pu blished on the subject of the Langmuir adsorption isotherm, the Langmuir catalytic kinetics and the Langmuir site-exclusion adsorp tion kinetics. The refinements have been significant. ThE original concepts in their primitive or amended form are used everyday by catalytic chemists and chemical engineers allover the world in their treatment of experimental data, design of reactors or inven tion of new processes.
Author : Paul G. Mezey
Publisher : Springer Science & Business Media
ISBN 13 : 9781402004131
Total Pages : 350 pages
Book Rating : 4.0/5 (41 download)
Download or read book Electron, Spin and Momentum Densities and Chemical Reactivity written by Paul G. Mezey and published by Springer Science & Business Media. This book was released on 2001-11-30 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: The electron density of a non-degenerate ground state system determines essentially all physical properties of the system. This statement of the Hohenberg–Kohn theorem of Density Functional Theory plays an exceptionally important role among all the fundamental relations of Molecular Physics. In particular, the electron density distribution and the dynamic properties of this density determine both the local and global reactivities of molecules. High resolution experimental electron densities are increasingly becoming available for more and more molecules, including macromolecules such as proteins. Furthermore, many of the early difficulties with the determination of electron densities in the vicinity of light nuclei have been overcome. These electron densities provide detailed information that gives important insight into the fundamentals of molecular structure and a better understanding of chemical reactions. The results of electron density analysis are used in a variety of applied fields, such as pharmaceutical drug discovery and biotechnology. If the functional form of a molecular electron density is known, then various molecular properties affecting reactivity can be determined by quantum chemical computational techniques or alternative approximate methods.
Author : Jens Peder Dahl
Publisher : Springer Science & Business Media
ISBN 13 : 1489921427
Total Pages : 848 pages
Book Rating : 4.4/5 (899 download)
Download or read book Local Density Approximations in Quantum Chemistry and Solid State Physics written by Jens Peder Dahl and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 848 pages. Available in PDF, EPUB and Kindle. Book excerpt: The· simplest picture of an atom, a molecule or a solid is the picture of its distribution of charge. It is obtained by specifying the positions of the atomic nuclei and by showing how the density, p(E), of the electronic charge-cloud varies from place to place. A much more detailed picture is provided by the many-electron wavefunction. This quantity shows not only the arrangement of the electrons with respect to the nuclei, but also the arrangement of the electrons with respect to each other, and it allows the evaluation of the total energy and other properties. The many-electron wavefunction is in principle obtained by solving the many-electron Schrodinger equation for the motion of the interacting electrons under the influ ence of the nuclei, but in practice the equation is unsolvable, and it is necessary to proceed by methods of approximation. Needless to say, .such methods will as a rule depend on the complexity of the system considered.
Author : Vladimir I Anisimov
Publisher : CRC Press
ISBN 13 : 9789056991319
Total Pages : 342 pages
Book Rating : 4.9/5 (913 download)
Download or read book Strong Coulomb Correlations in Electronic Structure Calculations written by Vladimir I Anisimov and published by CRC Press. This book was released on 2000-05-30 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials where electrons show nearly localized rather than itinerant behaviour, such as the high-temperature superconducting copper oxides, or manganate oxides, are attracting interest due to their physical properties and potential applications. For these materials, the interaction between electrons, or electron correlation, plays an important role in describing their electronic strucuture, and the standard methods for the calculation of their electronic spectra based on the local density approximation (LDA) breakdown. This is the first attempt to describe recent approaches that go beyond the concept of the LDA, to successfully describe the electronic structure of narrow-band materials.
Author : David J. Vaughan
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 1501509497
Total Pages : 728 pages
Book Rating : 4.5/5 (15 download)
Download or read book Sulfide Mineralogy and Geochemistry written by David J. Vaughan and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 728 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 61 of Reviews in Mineralogy and Geochemistry presents an up-to-date review of sulfide mineralogy and geochemistry. The crystal structures, electrical and magnetic properties, spectroscopic studies, chemical bonding, thermochemistry, phase relations, solution chemistry, surface structure and chemistry, hydrothermal precipitation processes, sulfur isotope geochemistry and geobiology of metal sulfides are reviewed. Where it is appropriate for comparison, there is brief discussion of the selenide or telluride analogs of the metal sulfides. When discussing crystal structures and structural relationships, the sulfosalt minerals as well as the sulfides are considered in some detail.
Author : Atsushi Fujimori
Publisher : Springer Science & Business Media
ISBN 13 : 3642578349
Total Pages : 272 pages
Book Rating : 4.6/5 (425 download)
Download or read book Spectroscopy of Mott Insulators and Correlated Metals written by Atsushi Fujimori and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Extensive studies of high-Tc cuprate superconductors have stimualted investigations into various transition-metal oxides. Mott transitions in particular provide fascinating problems and new concepts in condensed matter physics. This book is a collection of overviews by well-known, active researchers in this field. It deals with the latest developments, with particular emphasis on the theoretical, spectroscopic, and transport aspects.
Author :
Publisher : Academic Press
ISBN 13 : 9780080582542
Total Pages : 481 pages
Book Rating : 4.5/5 (825 download)
Download or read book Electronic Structure of Clusters written by and published by Academic Press. This book was released on 1998-04-10 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
Author : T. Miyahara
Publisher : Elsevier
ISBN 13 : 0444597190
Total Pages : 590 pages
Book Rating : 4.4/5 (445 download)
Download or read book Proceedings of the 11th International Conference on Vacuum Ultraviolet Radiation Physics written by T. Miyahara and published by Elsevier. This book was released on 2012-12-02 with total page 590 pages. Available in PDF, EPUB and Kindle. Book excerpt: These volumes contain 365 of the 505 papers presented at the VUV-11 Conference, held at Rikkyo University, Tokyo, from August 27th to September 1st 1995. The papers are divided into three sections: atomic and molecular spectroscopy, solid state spectroscopy and instrumentation and technological applications. New aspects presented were both quantitative and qualitative improvements in fluorescence spectroscopy and magnetic circular dichroism measurements. The fluorescence data are complementary to those of photoemission in a sense but they appear to open up a new method to analyze the optical excitation and relaxation processes. The application of magnetic circular dichroism has proved to be useful not only in analyzing the electronic structures of magnetic materials but also in practical applications to material engineering as found in experiments combined with photoelectron microscopy. Excellent developments in applications are only found in the field of surface photochemistry, where the technique of etching using VUV light has been appreciably refined. Although the majority of distinctive scientific features in the VUV-11 Conference have been brought about by the application of synchrotron radiation, experiments using a different type of light source appear to have progressed steadily. This is evident in the studies of plasma radiation.
Author :
Publisher :
ISBN 13 :
Total Pages : 850 pages
Book Rating : 4.F/5 ( download)
Download or read book Electronic Density of States written by and published by . This book was released on 1971 with total page 850 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Uichiro Mizutani
Publisher : Cambridge University Press
ISBN 13 : 9780521587099
Total Pages : 610 pages
Book Rating : 4.5/5 (87 download)
Download or read book Introduction to the Electron Theory of Metals written by Uichiro Mizutani and published by Cambridge University Press. This book was released on 2001-06-14 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron theory of metals textbook for advanced undergraduate students of condensed-matter physics and related disciplines.
Author : Stefan Hüfner
Publisher : Springer Science & Business Media
ISBN 13 : 3662032090
Total Pages : 530 pages
Book Rating : 4.6/5 (62 download)
Download or read book Photoelectron Spectroscopy written by Stefan Hüfner and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photoelectron Spectroscopy presents an up-to-date introduction to the field by comprehensively treating the electronic structures of atoms, molecules, solids, and surfaces. Brief descriptions are given of inverse photoemission, spin-polarized photoemission and photoelectron diffraction. Experimental aspects are considered throughout the book and the results are carefully interpreted in terms of the theory. A wealth of measured data is presented in tabulator form for easy use by experimentalists.
Author : Stephan Hüfner
Publisher : Springer Science & Business Media
ISBN 13 : 3662092808
Total Pages : 671 pages
Book Rating : 4.6/5 (62 download)
Download or read book Photoelectron Spectroscopy written by Stephan Hüfner and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 671 pages. Available in PDF, EPUB and Kindle. Book excerpt: The author, S. Hüfner, presents an authoritative and up-to-date introduction to the field by comprehensively treating the electronic structures of atoms, molecules, solids, and surfaces. Brief descriptions are given of inverse photoemission, spin-polarized photoemission and photoelectron diffraction. Experimental aspects are considered throughout the third edition book and the results are carefully interpreted in terms of the theory. A wealth of measured data is presented in tabulator form for easy use by experimentalists. The reader will learn about the basic technique of photoemission spectroscopy and obtain the necessary background for work based on this book.
Author : Stig Lundqvist
Publisher : Springer Science & Business Media
ISBN 13 : 1489904158
Total Pages : 405 pages
Book Rating : 4.4/5 (899 download)
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.
Author : N. Russo
Publisher : Springer Science & Business Media
ISBN 13 : 9401142459
Total Pages : 459 pages
Book Rating : 4.4/5 (11 download)
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
Author : P. Phariseau
Publisher : Springer
ISBN 13 :
Total Pages : 824 pages
Book Rating : 4.:/5 (45 download)
Download or read book The Electronic Structure of Complex Systems written by P. Phariseau and published by Springer. This book was released on 1984 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt: We present here the transcripts of lectures and talks which were delivered at the NATO ADVANCED STUDY INSTITUTE "Electronic Structure of Complex Systems" held at the State University of Ghent, Belgium during the period July 12-23, 1982. The aim of these lectures was to highlight some of the current progress in our understanding of the electronic structure of com plex systems. A massive leap forward is obtained in bandstructure calculations with the advent of linear methods. The bandtheory also profitted tremendously from the recent developments in the density functional theories for the properties of the interacting electron gas in the presence of an external field of ions. The means of per forming fast bandstructure calculations and the confidence in the underlying potential functions have led in the past five years or so to a wealth of investigations into the electronic properties of elemental solids and compounds. The study of the trends of the electronic structure through families of materials provided invalu able insights for the prediction of new materials. The detailed study of the electronic structure of specific solids was not neglected and our present knowledge of d- and f-metals and metal hydrides was reviewed. For those systems we also investi gated the accuracy of the one electron potentials in fine detail and we complemented this with the study of small clusters of atoms where our calculations are amenable to comparison with the frontiers of quantum chemistry calculations.
Author : Frank Y. Fradin
Publisher : Elsevier
ISBN 13 : 1483218279
Total Pages : 460 pages
Book Rating : 4.4/5 (832 download)
Download or read book Electronic Structure and Properties written by Frank Y. Fradin and published by Elsevier. This book was released on 2016-01-22 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: Treatise on Materials Science and Technology, Volume 21: Electronic Structure and Properties covers the developments in electron theory and electron spectroscopies. The book discusses the electronic structure of perfect and defective solids; the photoelectron spectroscopy as an electronic structure probe; and the electron-phonon interaction. The text describes the elastic properties of transition metals; the electrical resistivity of metals; as well as the electronic structure of point defects in metals. Metallurgists, materials scientists, materials engineers, and students involved in the related fields will find the book useful.
