Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Self Consistent Charge Exchange Potential
Download Self Consistent Charge Exchange Potential full books in PDF, epub, and Kindle. Read online Self Consistent Charge Exchange Potential ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Self-Consistent Fields in Atoms by : N. H. March
Download or read book Self-Consistent Fields in Atoms written by N. H. March and published by Elsevier. This book was released on 2016-06-28 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: Self-Consistent Fields in Atoms: Hartree and Thomas-Fermi atoms centers on atomic properties- energy levels, binding energies, how atoms scatter X-rays, what magnetic properties they have, and so on. This book is organized into two parts. Part I contains topics including central field wave functions and angular momentum operators; concept of self-consistent field; Thomas-Fermi atom; energies of atoms and ions; X-ray scattering and electron densities in atoms; and relativistic effects in heavy atoms. Part II discusses the wave mechanics of an atom with a non-Coulomb central field; the calculation of atomic fields; a statistical method for the determination of some atomic properties and the application of this method to the theory of the periodic system of elements; and a simplification of the Hartree-Fock method.
Book Synopsis Recent Developments and Applications of Modern Density Functional Theory by : Jorge M. Seminario
Download or read book Recent Developments and Applications of Modern Density Functional Theory written by Jorge M. Seminario and published by Elsevier. This book was released on 1996-11-18 with total page 863 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials.The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.
Book Synopsis Hartree-Fock-Slater Method for Materials Science by : Hirohiko Adachi
Download or read book Hartree-Fock-Slater Method for Materials Science written by Hirohiko Adachi and published by Springer Science & Business Media. This book was released on 2006-03-08 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectralline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976-03 with total page 938 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Strong Coulomb Correlations in Electronic Structure Calculations by : Vladimir I Anisimov
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 331 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 rol
Book Synopsis Physics Meets Mineralogy by : Hideo Aoki
Download or read book Physics Meets Mineralogy written by Hideo Aoki and published by Cambridge University Press. This book was released on 2000-09-25 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Leading international researchers discuss the application of condensed matter physics to mineralogy and crystallography.
Book Synopsis Advances in Electronics and Electron Physics by :
Download or read book Advances in Electronics and Electron Physics written by and published by Academic Press. This book was released on 1980-09-01 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Electronics and Electron Physics
Book Synopsis Introduction to Scanning Tunneling Microscopy by : C. Julian Chen
Download or read book Introduction to Scanning Tunneling Microscopy written by C. Julian Chen and published by Oxford University Press, USA. This book was released on 1993 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: A graduate-level introduction to scanning tunnelling microscopy, which explains how the method's ability to map microscopic surfaces non-destructively has found major applications in physics, surface science, materials science, biology, chemistry and engineering.
Download or read book Solid State Physics written by and published by Academic Press. This book was released on 1974-02-08 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid State Physics
Book Synopsis Planewaves, Pseudopotentials and the LAPW Method by : David J. Singh
Download or read book Planewaves, Pseudopotentials and the LAPW Method written by David J. Singh and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 121 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past decade the world's technological and industrial base has become increasingly dependent on advanced materials. There is every indication that this trend will accelerate and that progress in many areas will increasingly depend on the development of new materials and processing techniques. A second and equally significant trend is the continuing ascent of the information technologies, which now touch almost every aspect of life in some way. In this environment it is natural that there is a strong interest in using numerical modeling in materials science. With its extreme accuracy and reasonable computational efficiency, the linearized augmented plane wave (LAPW) method has emerged as the standard by which density functional calculations for transition metal and rare-earth containing materials are judged. Planewaves, Pseudopotentials and the LAPW Method presents a thorough and self-contained exposition of the LAPW method, making this powerful technique more accessible to researchers and students who have some familiarity with local density approximation calculations. Theory is discussed, but the emphasis is on how practical implementation proceeds. In addition, the author suggests future directions for adapting the LAPW method to simulations of complex materials requiring large unit cells. He does this by elucidating the connections between the LAPW method and planewave pseudopotential approaches and by showing how Car--Parrinello type algorithms can be adapted to the LAPW method. Planewaves, Pseudopotentials and the LAPW Method is a valuable resource for researchers already involved in electronic structure calculations, as well as for newcomers seeking quick mastery of the LAPW technique.
Book Synopsis Electronic and Optical Properties of d-Band Perovskites by : Thomas Wolfram
Download or read book Electronic and Optical Properties of d-Band Perovskites written by Thomas Wolfram and published by Cambridge University Press. This book was released on 2006-10-05 with total page 5 pages. Available in PDF, EPUB and Kindle. Book excerpt: The perovskite family of oxides includes a vast array of insulators, metals, and semiconductors. Current intense scientific interest stems from the large number of diverse phenomena exhibited by these materials including pseudo two-dimensional electronic energy bands, high temperature superconductivity, metal-insulator transitions, piezoelectricity, magnetism, photochromic, and catalytic activity. This book is the first text devoted to a comprehensive theory of the solid-state properties of these fascinating materials. The text includes complete descriptions of the important energy bands, photoemission, surface states, and the chapter on high-temperature superconductors explores the electronic states in typical copper-oxide materials. Theoretical results are compared to experiment and discussed throughout the book. With problem sets included, this is a unified, logical treatment of fundamental perovskite solid-state chemistry which will appeal to graduate students and researchers alike.
Book Synopsis Quantum Mechanical First Principles Calculations of the Electronic and Magnetic Structure of Fe-Bearing Rock-Forming Silicates by : Danylo Zherebetskyy
Download or read book Quantum Mechanical First Principles Calculations of the Electronic and Magnetic Structure of Fe-Bearing Rock-Forming Silicates written by Danylo Zherebetskyy and published by Universal-Publishers. This book was released on 2010 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this thesis is the study of the electronic and magnetic structure of three representative members of Fe-bearing rock-forming silicates, viz. orthoferrosilite (Fe2+2Si2O6), almandine (Fe2+3Al2(SiO4)3) and andradite (Ca3Fe3+2(SiO4)3). These minerals have attracted significant attention due to their abundance in the Earth's crust and mantle, and because crystallised silicates are main components of cosmic dust which is the most abundant raw material in the Universe. For this purpose quantum mechanical first principles electronic structure calculations are performed by the most efficient DFT method in the local spin-density approximation for calculating spectroscopic data: the spin-polarized self consistent charge Xa method. The specific feature and strength of these investigations consist in the theoretical characterization of these complex systems based on experimental results. This means that, on one hand, experimental spectroscopic and crystallographic data are being used to judge the reliability of the calculations, whereas, on the other hand, experimental data are interpreted and explained by the theoretical results. This work comprises seven chapters. After a brief introduction (Chapter 1) Chapter 2 describes the theoretical bases, ideas, approximations and advantages of the SCC- Xa method and basics of the art of cluster construction. Chapter 3 considers physical bases of crystal field theory, absorption, Mossbauer spectroscopy and magnetic interactions, as well as the calculation of spectroscopic data within the frame of the SCC-Xa method. In addition, tetragonally, trigonally and angularly distorted octahedral sites with various degrees of the distortions are calculated and analyzed. The electronic and magnetic structures of orthoferrosilite, almandine and andradite are described in the following chapters. In the case of orthoferrosilite the magnetic interactions between the iron spins within the ribbons and between neighboring ribbons are characterized. Two identical interpenetrating magnetic sublattices of circles of 10 edge-shared dodecahedra are revealed and characterized in almandine. The calculated spin structure explains and solves the controversy in the interpretation of the Mossbauer spectra of almandine below the Neel temperature. For andradite a model of the magnetic structure is proposed based on geometrical considerations and the calculated spin coupling constants for the various interaction pathways. According to this model, the magnetic structure of andradite consists of two frustrated equivalent magnetic sublattices. The spins of the Fe ions within each sublattice are coupled antiferromagnetically. The derived spin pattern explains two sextets in the Mossbauer spectra of andradite below the Neel temperature. Finally, the main results are summarized in Chapter 7.
Book Synopsis Vibrations at Surfaces by : C. R. Brundle
Download or read book Vibrations at Surfaces written by C. R. Brundle and published by Elsevier. This book was released on 2000-04-01 with total page 761 pages. Available in PDF, EPUB and Kindle. Book excerpt: Studies in Surface Science and Catalysis 14: Vibrations at Surfaces documents the proceedings of the third International Conference on ""Vibrations at Surfaces"" held at Asilomar, California, from September 1-4, 1982. Almost all of the 102 papers presented at the meeting are published in this volume. The topics chosen for the eight sessions held over a span of three days were: (I) Vibrational Frequency Shifts and Widths-Lateral Interactions; (II) Dynamical Processes at Surfaces; (III) and (IV) Electron Loss Spectroscopy; (V) Raman and Surface Enhanced Raman Scattering; (VI) Infrared Absorption and Reflection Spectroscopy; (VII) Beam Surface Scattering Surface Phonons; (VIII) Electron Tunneling Spectroscopy - Surface Enhanced Raman Studies in Electrochemistry. In addition, C. B. Duke presented an introductory keynote surveying progress in the field since the last meeting. In the final session H. Ibach and T. Grimley presented conference overviews and future prospects for the field from an experimental and theoretical perspective. Also included in the Proceedings are four literature surveys on Energy Loss, Inelastic Tunneling, Infrared and Raman (SERS) papers.
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1964-01-01 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry
Book Synopsis Publications by : United States. National Bureau of Standards
Download or read book Publications written by United States. National Bureau of Standards and published by . This book was released on 1972 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Publications of the National Bureau of Standards, 1972 Catalog by : United States. National Bureau of Standards
Download or read book Publications of the National Bureau of Standards, 1972 Catalog written by United States. National Bureau of Standards and published by . This book was released on 1973 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Publications of the National Institute of Standards and Technology ... Catalog by : National Institute of Standards and Technology (U.S.)
Download or read book Publications of the National Institute of Standards and Technology ... Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1971 with total page 810 pages. Available in PDF, EPUB and Kindle. Book excerpt:
