Electron And Magnetization Densities In Molecules And Crystals

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Electron and Magnetization Densities in Molecules and Crystals

Author : Pierre Becker
Publisher : Springer Science & Business Media
ISBN 13 : 1468410180
Total Pages : 885 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Electron and Magnetization Densities in Molecules and Crystals by : Pierre Becker

Download or read book Electron and Magnetization Densities in Molecules and Crystals written by Pierre Becker and published by Springer Science & Business Media. This book was released on 2013-11-21 with total page 885 pages. Available in PDF, EPUB and Kindle. Book excerpt: The interest of describing the ground state properties of a system in terms of one electron density (or its two spin components) is obvious, in particular due to the simple physical significance of this function. Recent experimental progress in diffraction made the measurement of charge and magnetization densities in crystalline solids possible, with an accuracy at least as good as theoretical accuracy. Theoretical developments of the many-body problem have proved the extreme importance of the one electron density function and presently, accurate methods of band structure determination become available. Parallel to the diffraction techniques, other domains of research (inelastic scattering, resonance, molecular spectroscopy) deal with quantities directly related to the one particle density. But the two types of studies do not interfere enough and one should obviously gain more information by interpreting all experiments that are related to the density together. It became necessary to have an International School that reviews the status of the art in the domain of "ELECTRON AND MAGNETIZATION DENSITIES IN MOLECULES AND CRYSTALS". This was made possible through the generous effort of N.A.T.O. 's Scientific Affairs Division, and I would specially thank Dr. T. KESTER, the head of this Division, for his help and competence. An Advanced Study Institute was thus held in ARLES, south France, from the 16th to the 31st of August 1978.

Electron Density and Bonding in Crystals

Author : V.G Tsirelson
Publisher : CRC Press
ISBN 13 : 9780750302845
Total Pages : 544 pages
Book Rating : 4.3/5 (28 download)

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Book Synopsis Electron Density and Bonding in Crystals by : V.G Tsirelson

Download or read book Electron Density and Bonding in Crystals written by V.G Tsirelson and published by CRC Press. This book was released on 1996-01-01 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry provides a comprehensive, unified account of the use of diffraction techniques to determine the distribution of electrons in crystals. The book discusses theoretical and practical techniques, the application of electron density studies to chemical bonding, and the determination of the physical properties of condensed matter. The book features the authors' own key contributions to the subject as well a thorough, critical summary of the extensive literature on electron density and bonding. Logically organized, coverage ranges from the theoretical and experimental basis of electron density determination to its impact on investigations of the nature of the chemical bond and its uses in determining electromagnetic and optical properties of crystals. The main text is supplemented by appendices that provide clear, concise guidance on aspects such as systems of units, quantum theory of atomic vibrations, atomic orbitals, and creation and annihilation operators. The result is a valuable compendium of modern knowledge on electron density distributions, making this reference a standard for crystallographers, condensed matter physicists, theoretical chemists, and materials scientists.

Electron Density and Bonding in Crystals

Author : V.G Tsirelson
Publisher : CRC Press
ISBN 13 : 1000112357
Total Pages : 529 pages
Book Rating : 4.0/5 (1 download)

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Book Synopsis Electron Density and Bonding in Crystals by : V.G Tsirelson

Download or read book Electron Density and Bonding in Crystals written by V.G Tsirelson and published by CRC Press. This book was released on 2020-11-25 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry provides a comprehensive, unified account of the use of diffraction techniques to determine the distribution of electrons in crystals. The book discusses theoretical and practical techniques, the application of electron density studies to chemical bonding, and the determination of the physical properties of condensed matter. The book features the authors' own key contributions to the subject as well a thorough, critical summary of the extensive literature on electron density and bonding. Logically organized, coverage ranges from the theoretical and experimental basis of electron density determination to its impact on investigations of the nature of the chemical bond and its uses in determining electromagnetic and optical properties of crystals. The main text is supplemented by appendices that provide clear, concise guidance on aspects such as systems of units, quantum theory of atomic vibrations, atomic orbitals, and creation and annihilation operators. The result is a valuable compendium of modern knowledge on electron density distributions, making this reference a standard for crystallographers, condensed matter physicists, theoretical chemists, and materials scientists.

Many-Electron Densities and Reduced Density Matrices

Author : Jerzy Cioslowski
Publisher : Springer Science & Business Media
ISBN 13 : 1461542111
Total Pages : 311 pages
Book Rating : 4.4/5 (615 download)

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Book Synopsis Many-Electron Densities and Reduced Density Matrices by : Jerzy Cioslowski

Download or read book Many-Electron Densities and Reduced Density Matrices written by Jerzy Cioslowski and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 311 pages. Available in PDF, EPUB and Kindle. Book excerpt: Science advances by leaps and bounds rather than linearly in time. I t is not uncommon for a new concept or approach to generate a lot of initial interest, only to enter a quiet period of years or decades and then suddenly reemerge as the focus of new exciting investigations. This is certainly the case of the reduced density matrices (a k a N-matrices or RDMs), whose promise of a great simplification of quantum-chemical approaches faded away when the prospects of formulating the auxil iary yet essential N-representability conditions turned quite bleak. How ever, even during the period that followed this initial disappointment, the 2-matrices and their one-particle counterparts have been ubiquitous in the formalisms of modern electronic structure theory, entering the correlated-level expressions for the first-order response properties, giv ing rise to natural spinorbitals employed in the configuration interaction method and in rigorous analysis of electronic wavefunctions, and al lowing direct calculations of ionization potentials through the extended Koopmans'theorem. The recent research of Nakatsuji, Valdemoro, and Mazziotti her alds a renaissance of the concept of RDlvls that promotes them from the role of interpretive tools and auxiliary quantities to that of central variables of new electron correlation formalisms. Thanks to the economy of information offered by RDMs, these formalisms surpass the conven tional approaches in conciseness and elegance of formulation. As such, they hold the promise of opening an entirely new chapter of quantum chemistry.

Quantum Crystallography: Expectations vs Reality

Author : Piero Macchi
Publisher : Springer Nature
ISBN 13 : 3030956415
Total Pages : 98 pages
Book Rating : 4.0/5 (39 download)

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Book Synopsis Quantum Crystallography: Expectations vs Reality by : Piero Macchi

Download or read book Quantum Crystallography: Expectations vs Reality written by Piero Macchi and published by Springer Nature. This book was released on 2022-03-05 with total page 98 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the potential of quantum crystallography. The field accompanied the major milestones of x-ray diffraction and it has undergone a rapid evolution in the past few years. For this reason, some reflections are necessary in order to scrutinize the next steps and anticipate the future developments. After a short survey of the historical background and in depth description of the state of the art, some examples are provided of current and future applications of the know-how in this discipline. This implies attracting readership of both experts in the field and neophytes. The former will test their own views with the one exposed in the book; the newcomers, instead, will learn both what has been done and what could be done with quantum crystallography.

Electrons In Metals And Alloys

Author : J. A. Alonso
Publisher : Academic Press
ISBN 13 : 0080984495
Total Pages : 616 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Electrons In Metals And Alloys by : J. A. Alonso

Download or read book Electrons In Metals And Alloys written by J. A. Alonso and published by Academic Press. This book was released on 2012-12-02 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a broad review of the electronic structure of metals and alloys. It emphasises the way in which the behavior of electrons in these materials governs the thermodynamic and other properties of these conducting materials. The theoretical treatment proceeds from a wave mechanics approach to more sophisticated techniques for the description of the properties of metals and alloys.

国立国会図書館所蔵科学技術関係欧文会議錄目錄

Author : 国立国会図書館 (Japan)
Publisher :
ISBN 13 :
Total Pages : 672 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis 国立国会図書館所蔵科学技術関係欧文会議錄目錄 by : 国立国会図書館 (Japan)

Download or read book 国立国会図書館所蔵科学技術関係欧文会議錄目錄 written by 国立国会図書館 (Japan) and published by . This book was released on 1972 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Electron Density and Chemical Bonding II

Author : Dietmar Stalke
Publisher : Springer
ISBN 13 : 3642308082
Total Pages : 300 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Electron Density and Chemical Bonding II by : Dietmar Stalke

Download or read book Electron Density and Chemical Bonding II written by Dietmar Stalke and published by Springer. This book was released on 2012-06-05 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: T. Koritsanszky, A. Volkov, M. Chodkiewicz: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.- B. Dittrich, D. Jayatilaka: Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement.- B. Engels, Th. C. Schmidt, C. Gatti, T. Schirmeister, R.F. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.- S. Fux, M. Reiher: Electron Density in Quantum Theory.- K. Meindl, J.Henn: Residual Density Analysis.- C. Gatti: The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities.

Recent Progress in Computational Sciences and Engineering (2 vols)

Author : Theodore Simos
Publisher : CRC Press
ISBN 13 : 1466564512
Total Pages : 1600 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Recent Progress in Computational Sciences and Engineering (2 vols) by : Theodore Simos

Download or read book Recent Progress in Computational Sciences and Engineering (2 vols) written by Theodore Simos and published by CRC Press. This book was released on 2019-05-07 with total page 1600 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together selected contributed papers presented at the International Conference of Computational Methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The conference aims to bring together computational scientists from several disciplines in order to share methods and ideas. The ICCMSE is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. It would be perhaps more appropriate to define the ICCMSE as a conference on computational science and its applications to science and engineering. Topics of general interest are: Computational Mathematics, Theoretical Physics and Theoretical Chemistry. Computational Engineering and Mechanics, Computational Biology and Medicine, Computational Geosciences and Meteorology, Computational Economics and Finance, Scientific Computation. High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Numerical Algorithms, Modelling and Simulation of Complex System, Web-based Simulation and Computing, Grid-based Simulation and Computing, Fuzzy Logic, Hybrid Computational Methods, Data Mining, Information Retrieval and Virtual Reality, Reliable Computing, Image Processing, Computational Science and Education etc. More than 800 extended abstracts have been submitted for consideration for presentation in ICCMSE 2005. From these 500 have been selected after international peer review by at least two independent reviewers.

Physics Briefs

Author :
Publisher :
ISBN 13 :
Total Pages : 1114 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Physics Briefs by :

Download or read book Physics Briefs written by and published by . This book was released on 1991 with total page 1114 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Modern Crystallography 2

Author : Boris K. Vainshtein
Publisher : Springer Science & Business Media
ISBN 13 : 3642572545
Total Pages : 539 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis Modern Crystallography 2 by : Boris K. Vainshtein

Download or read book Modern Crystallography 2 written by Boris K. Vainshtein 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 four-volume treatment Modern Crystallography presents an encyclopaedic exposition of problems concerning the structure of crystals, their growth and their properties. Structure of Crystals deals with crystal structures in inorganic and organic compounds, polymers, liquid crystals, biological crystals and macromolecules.

Electron, Spin and Momentum Densities and Chemical Reactivity

Author : Paul G. Mezey
Publisher : Springer Science & Business Media
ISBN 13 : 030646943X
Total Pages : 328 pages
Book Rating : 4.3/5 (64 download)

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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 Science & Business Media. This book was released on 2006-04-11 with total page 328 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.

Electron Density and Bonding in Crystals

Author : V.G Tsirelson
Publisher : CRC Press
ISBN 13 : 1000157164
Total Pages : 534 pages
Book Rating : 4.0/5 (1 download)

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Book Synopsis Electron Density and Bonding in Crystals by : V.G Tsirelson

Download or read book Electron Density and Bonding in Crystals written by V.G Tsirelson and published by CRC Press. This book was released on 2020-11-26 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry provides a comprehensive, unified account of the use of diffraction techniques to determine the distribution of electrons in crystals. The book discusses theoretical and practical techniques, the application of electron density studies to chemical bonding, and the determination of the physical properties of condensed matter. The book features the authors' own key contributions to the subject as well a thorough, critical summary of the extensive literature on electron density and bonding. Logically organized, coverage ranges from the theoretical and experimental basis of electron density determination to its impact on investigations of the nature of the chemical bond and its uses in determining electromagnetic and optical properties of crystals. The main text is supplemented by appendices that provide clear, concise guidance on aspects such as systems of units, quantum theory of atomic vibrations, atomic orbitals, and creation and annihilation operators. The result is a valuable compendium of modern knowledge on electron density distributions, making this reference a standard for crystallographers, condensed matter physicists, theoretical chemists, and materials scientists.

International Tables for Crystallography, Volume C

Author : A.J.C. Wilson
Publisher : Springer
ISBN 13 : 9780792352686
Total Pages : 1032 pages
Book Rating : 4.3/5 (526 download)

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Book Synopsis International Tables for Crystallography, Volume C by : A.J.C. Wilson

Download or read book International Tables for Crystallography, Volume C written by A.J.C. Wilson and published by Springer. This book was released on 1999-06-30 with total page 1032 pages. Available in PDF, EPUB and Kindle. Book excerpt: International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. The purpose of Volume C is to provide the mathematical, physical, and chemical information needed for experimental studies in structural crystallography. This new edition features two completely new chapters, on reflectometry and neutron topography. More than half of the text has been revised and updated, and there are extensive updates and corrections to tabular material. Volume C covers all aspects of experimental techniques, using all three principal radiation types, from the selection and mounting of crystals and production of radiation through data collection and analysis to interpretation of results. Audience: The volume is an essential source of information for all workers using crystallographic techniques in physics, chemistry, metallurgy, earth sciences, and molecular biology.

Electron Density Distributions In Molecules

Author : F. L. Hirshfeld
Publisher : CRC Press
ISBN 13 : 9782881248146
Total Pages : 82 pages
Book Rating : 4.2/5 (481 download)

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Book Synopsis Electron Density Distributions In Molecules by : F. L. Hirshfeld

Download or read book Electron Density Distributions In Molecules written by F. L. Hirshfeld and published by CRC Press. This book was released on 1991 with total page 82 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Condensed Matter Theories

Author : F. B. Malik
Publisher :
ISBN 13 :
Total Pages : 572 pages
Book Rating : 4.4/5 (82 download)

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Book Synopsis Condensed Matter Theories by : F. B. Malik

Download or read book Condensed Matter Theories written by F. B. Malik and published by . This book was released on 1994 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:

π-Electron Magnetism

Author : Jaume Veciana
Publisher : Springer
ISBN 13 : 3540446842
Total Pages : 218 pages
Book Rating : 4.5/5 (44 download)

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Book Synopsis π-Electron Magnetism by : Jaume Veciana

Download or read book π-Electron Magnetism written by Jaume Veciana and published by Springer. This book was released on 2003-09-04 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: Celebrating Volume 100: Thirty years ago Springer-Verlag together with a distinguished Board of Editors started the series Structure and Bonding. Initially the series was set up to publish reviews from different fields of modern inorganic chemistry, chemical physics and biochemistry, where the general subject of chemical bonding involves a metal and a small number of associated atoms. Three years ago the aims of the series was refined to span the entire periodic table and address structure and bonding issues wherever they may be relevant. Not only the traditional areas of chemical bonding will be dealt with but also nanostructres, molecular electronics, supramolecular structure, surfaces and clusters. With these aims in mind it is noteworthy that Volume 100 effectively reinforces and illustrates these ideals and is titled Pi-Electron Magnetism from Molecules to Magnetic Materials.