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Electron Momentum Density Studies Of The Electronic Structure Of Complex Systems
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Book Synopsis The Electronic Structure of Complex Systems by : P. Phariseau
Download or read book The Electronic Structure of Complex Systems written by P. Phariseau and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 807 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.
Book Synopsis Electron Momentum Spectroscopy by : Erich Weigold
Download or read book Electron Momentum Spectroscopy written by Erich Weigold and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives a complete account of electron momentum spectroscopy to date. It describes in detail the construction of spectrometers and the acquisition and reduction of cross-section data, explaining the quantum theory of the reaction and giving experimental verification.
Book Synopsis Electron Density Theory of Atoms and Molecules by : Norman Henry March
Download or read book Electron Density Theory of Atoms and Molecules written by Norman Henry March and published by . This book was released on 1992 with total page 339 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron density theory, widely used since its development in the 1960s, is virtually the sole ab-initio quantum mechanical approach for solid state and materials science research. This book describes experimental electron density determination in direct and momentum space and develops theories of electronic structure based on electron density with emphasis on systems with a large number of electrons.
Book Synopsis Statistical Complexity by : K.D. Sen
Download or read book Statistical Complexity written by K.D. Sen and published by Springer Science & Business Media. This book was released on 2011-08-27 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: The understanding of electron density as the carrier of all the information of a multielectronic system is implicit in the theorems of density functional theory. Information theoretical based measures giving a quantitative understanding of statistical complexity of such systems is shaping up as a new area of research in chemical physics. This book is the first monograph of its kind covering the aspects of complexity measure in atoms and molecules.
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:
Book Synopsis Energy Density Functional Theory of Many-Electron Systems by : Eugene S. Kryachko
Download or read book Energy Density Functional Theory of Many-Electron Systems written by Eugene S. Kryachko and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 862 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 X-Ray Compton Scattering by : Malcolm Cooper
Download or read book X-Ray Compton Scattering written by Malcolm Cooper and published by OUP Oxford. This book was released on 2004-10-14 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the development of potent x-ray sources at many synchrotron laboratories worldwide, Compton scattering has become a standard tool for studying electron densities in materials. This book provides condensed matter and materials physicists with an authoritative, up-to-date, and very accessible account of the Compton scattering method, leading to a fundamental understanding of the electrical and magnetic properties of solid materials. The spectrum of Compton scattered x-rays is particularly sensitive to this behaviour and thus can be used as a direct probe and to test the predictions of theory. The current generation of synchrotron facilities allows this method to be readily exploited to study the ground state electron density in both elements and in complex compounds. It is important that those working in related fields, as well as the increasing number directly using the Compton method, have a comprehensive assessment of what is now possible and how to achieve it, in addition to a full understanding of its theoretical basis. This monograph is unique and timely, since little of what is described, was practicable a decade ago. The development of synchrotron radiation facilities has ensured that the technique described here will remain a powerful probe of electron charge and spin density for many years to come.
Book Synopsis Positron Spectroscopy of Solids by : Società italiana di fisica
Download or read book Positron Spectroscopy of Solids written by Società italiana di fisica and published by IOS Press. This book was released on 1995 with total page 807 pages. Available in PDF, EPUB and Kindle. Book excerpt: The lifetime of a positron inside a solid is normally less than a fraction of nanosecond. This is a very short time on a human scale, but is long enough to enable the positron to visit an extended region of the material, and to sense the atomic and electronic structure of the environment. Thus, we can inject a positron in a sample to draw from it some signal giving us information on the microscopic properties of the material. This idea has been successfully developed in a number of positron-based techniques of physical analysis, with resolution in energy, momentum, or position. The complex of these techniques is what we call now positron spectroscopy of solids. The field of application of the positron spectroscopy extends from advanced problems of solid-state physics to industrial applications in the area of characterization of high-tech materials. This volume focuses the attention on the physics that can be learned from positron-based methods, but also frames those methods in a wider context including other experimental approaches. It can be considered as a textbook on positron spectroscopy of solids, the sort of book that the newcomer takes for his approach to this field, but also as a useful research tool for the expert.
Book Synopsis Modern Electronic Structure Theory by : David Yarkony
Download or read book Modern Electronic Structure Theory written by David Yarkony and published by World Scientific. This book was released on 1995 with total page 788 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Book Synopsis Electronic Structure Crystallography and Functional Motifs of Materials by : Guo-Cong Guo
Download or read book Electronic Structure Crystallography and Functional Motifs of Materials written by Guo-Cong Guo and published by John Wiley & Sons. This book was released on 2024-01-09 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Structure Crystallography and Functional Motifs of Materials Detailed resource on the method of electronic structure crystallography for revealing the experimental electronic structure and structure-property relationships of functional materials Electronic Structure Crystallography and Functional Motifs of Materials describes electronic structure crystallography and functional motifs of materials, two of the most challenging topics to realize the rational design of high-performance functional materials, emphasizing the physical properties and structure-property relationships of functional materials using nonlinear optical materials as examples. The text clearly illustrates how to extract experimental electronic structure information and relevant physicochemical properties of materials based on the theories and methods in X-ray crystallography and quantum chemistry. Practical skills of charge density studies using experimental X-ray sources are also covered, which are particularly important for the future popularization and development of electron structure crystallography. This book also introduces the related theories and refinement techniques involved in using scattering methods (mainly X-ray single-crystal diffraction, as well as polarized neutron scattering and Compton scattering) to determine experimental electronic structures, including the experimental electron density, experimental electron wavefunction, and experimental electron density matrix of crystalline materials. Electronic Structure Crystallography and Functional Motifs of Materials includes information on: Basic framework and assumptions of the first-principle calculations, density matrix and density function, and Hartree-Fock (HF) and Kohn-Sham (KS) methods Analysis of topological atoms in molecules, chemical interaction analysis, coarse graining and energy partition of the density matrix, and restricted space partition Principles of electronic structure measurement, including thermal vibration analysis, scattering experiments, and refinement algorithm for experimental electronic structure Independent atom model, multipole model, X-ray constrained wavefunction model, and other electron density models Electronic Structure Crystallography and Functional Motifs of Materials is an ideal textbook or reference book for graduate students and researchers in chemistry, physics, and material sciences for studying the structures and properties of functional crystalline materials.
Book Synopsis Concepts in Electron Correlation by : Alex C. Hewson
Download or read book Concepts in Electron Correlation written by Alex C. Hewson and published by Springer Science & Business Media. This book was released on 2003-09-30 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: The concept of electron correlation is fundamental to condensed matter physics, playing an important role in systems including high temperature superconductors, heavy fermions, manganite compounds with colossal magnetoresistance, transition metal compounds with metal-insulator transitions, and mesoscopic systems like quantum dots and carbon nanotubes. The dialogue between experimentalists and theoreticians presented here is an assessment of our current understanding of the field; one that sets the agenda for future work.
Book Synopsis Full-Potential Electronic Structure Method by : John M. Wills
Download or read book Full-Potential Electronic Structure Method written by John M. Wills and published by Springer. This book was released on 2011-07-23 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the ?rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now? The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e?ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally ?exible, the code required experience to be used e?ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its ?exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e?ect of new models.
Download or read book Research in Progress written by and published by . This book was released on 1972 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electron, Spin and Momentum Densities and Chemical Reactivity by : Paul G. Mezey
Download or read book Electron, Spin and Momentum Densities and Chemical Reactivity written by Paul G. Mezey and published by Springer. This book was released on 2000-04-30 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: The electron density of a nondegenerate 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. Electron densities provide detailed information that gives important insight into the fundamentals of molecular structure and a better understanding of chemical reactions. 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. This book contains a selection of chapters based on papers given at the 12th conference of the Commission of Charge, Spin and Momentum Density of the International Union for Crystallography, held in Waskiesiu, Prince Albert National Park, Canada, on July 27 - August 1, 1997. The choice of topics represents some of the latest advances in the field of electron, spin, and momentum densities and the analysis of these densities with respect to their roles in determining chemical reactivity. This book provides an exciting collection of accounts of the latest advances, and also provides further motivation for new research to address some of the challenging, unsolved problems of the fascinating interrelations between electron, spin, and momentum densities, and the complex subject of chemical reactivity.
Book Synopsis X-Rays in Nanoscience by : Jinghua Guo
Download or read book X-Rays in Nanoscience written by Jinghua Guo and published by John Wiley & Sons. This book was released on 2011-09-22 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: An up-to-date overview of the different x-ray based methods in the hot fields of nanoscience and nanotechnology, including methods for imaging nanomaterials, as well as for probing the electronic structure of nanostructured materials in order to investigate their different properties. Written by authors at one of the world's top facilities working with these methods, this monograph presents and discusses techniques and applications in the fields of x-ray scattering, spectroscopy and microscope imaging. The resulting systematic collection of these advanced tools will benefit graduate students, postdocs as well as professional researchers.
Book Synopsis Atomistic Computer Simulations by : Veronika Brázdová
Download or read book Atomistic Computer Simulations written by Veronika Brázdová and published by John Wiley & Sons. This book was released on 2013-04-16 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies. The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.