Computational Methods in Solid State Physics

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Publisher : CRC Press
ISBN 13 : 9789056990947
Total Pages : 272 pages
Book Rating : 4.9/5 (99 download)

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Book Synopsis Computational Methods in Solid State Physics by : V V Nemoshkalenko

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.

Computational Solid State Physics

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 1468419773
Total Pages : 444 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Computational Solid State Physics by : F. Herman

Download or read book Computational Solid State Physics written by F. Herman and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the past 20 years, solid state physics has become one of the major branches of physics. 1-2 Today over one-third of all scientific articles published in physics deal with solid state 3 topics. During the last two decades, there has also been ra~id growth of scientific computation in a wide variety of fields. -5 The combination of solid state physics and comp~tation may be termed computational solid state physics. This emerging field is distin guished from theoretical solid state physics only to the extent that electronic computers rather than slide rules or backs of envelopes are used to solve numerical or logical problems, test scientific hypotheses, and discover the essential physical content of formal mathematical theories. Papers in computational solid state physics are widely scatter ed in the literature. They can be found in the traditional physics journals and review series, such as The Physical Review and Solid State Physics; in more specialized publications, such as Journal of Computational Physics, Computer Physics Communications, and Methods in Computational Physics; and in the proceedings of a number of re 6 9 cent conferences and seminar courses. - Plans for holding an International Symposium on Computational Solid State Physics in early October 1971 were formulated by Dr.

Computational Materials Science

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Author :
Publisher : Springer
ISBN 13 : 3662565420
Total Pages : 433 pages
Book Rating : 4.6/5 (625 download)

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Book Synopsis Computational Materials Science by : Kaoru Ohno

Download or read book Computational Materials Science written by Kaoru Ohno and published by Springer. This book was released on 2018-04-14 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.

Computational Methods for Large Molecules and Localized States in Solids

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Publisher : Springer Science & Business Media
ISBN 13 : 1468420135
Total Pages : 387 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Computational Methods for Large Molecules and Localized States in Solids by : F. Herman

Download or read book Computational Methods for Large Molecules and Localized States in Solids written by F. Herman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 387 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the past few years, there has been dramatic progress in theoretical and computational studies of large molecules and local ized states in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic states. In creasingly, solid state physicists are adopting a molecular point of view in attempting to understand the nature of electronic states associated with (a) isolated structural and chemical defects in solids; (b) surfaces and interfaces; and (c) bulk disordered solids, most notably amorphous semiconductors. Moreover, many concepts and methods already widely used in solid state physics are being adapted to molecular problems. These adaptations include pseudopotentials, statistical exchange approxi mations, muffin-tin model potentials, and multiple scattering and cellular methods. In addition, many new approaches are being de vised to deal with progressively more complex molecular and local ized electronic state problems.

Quantum Chemistry, Solid-state Physics, and Computational Methods

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Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (636 download)

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Book Synopsis Quantum Chemistry, Solid-state Physics, and Computational Methods by : Per-Olov Lowdin

Download or read book Quantum Chemistry, Solid-state Physics, and Computational Methods written by Per-Olov Lowdin and published by . This book was released on 1990 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Computational Chemistry of Solid State Materials

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Publisher : John Wiley & Sons
ISBN 13 : 3527612297
Total Pages : 300 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Computational Chemistry of Solid State Materials by : Richard Dronskowski

Download or read book Computational Chemistry of Solid State Materials written by Richard Dronskowski and published by John Wiley & Sons. This book was released on 2008-01-08 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for "non"-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on those important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for all those wishing to improve their work in solid state research.

Introductory Solid State Physics with MATLAB Applications

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Publisher : CRC Press
ISBN 13 : 1466512326
Total Pages : 571 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Introductory Solid State Physics with MATLAB Applications by : Javier E. Hasbun

Download or read book Introductory Solid State Physics with MATLAB Applications written by Javier E. Hasbun and published by CRC Press. This book was released on 2019-10-08 with total page 571 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uses the pedagogical tools of computational physics that have become important in enhancing physics teaching of advanced subjects such as solid state physics Adds visualization and simulation to the subject in a way that enables students to participate actively in a hand-on approach Covers the basic concepts of solid state physics and provides students with a deeper understanding of the subject matter Provides unique example exercises throughout the text Obtains mathematical analytical solutions Carries out illustrations of important formulae results using programming scripts that students can run on their own and reproduce graphs and/or simulations Helps students visualize solid state processes and apply certain numerical techniques using MATLAB®, making the process of learning solid state physics much more effective Reinforces the examples discussed within the chapters through the use of end-of-chapter exercises Includes simple analytical and numerical examples to more challenging ones, as well as computational problems with the opportunity to run codes, create new ones, or modify existing ones to solve problems or reproduce certain results

Symmetry and Condensed Matter Physics

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Publisher : Cambridge University Press
ISBN 13 : 1139469517
Total Pages : 3 pages
Book Rating : 4.1/5 (394 download)

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Book Synopsis Symmetry and Condensed Matter Physics by : M. El-Batanouny

Download or read book Symmetry and Condensed Matter Physics written by M. El-Batanouny and published by Cambridge University Press. This book was released on 2008-03-13 with total page 3 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unlike existing texts, this book blends for the first time three topics in physics - symmetry, condensed matter physics and computational methods - into one pedagogical textbook. It includes new concepts in mathematical crystallography; experimental methods capitalizing on symmetry aspects; non-conventional applications such as Fourier crystallography, color groups, quasicrystals and incommensurate systems; as well as concepts and techniques behind the Landau theory of phase transitions. Adopting a computational approach to the application of group theoretical techniques to solving symmetry related problems, it dramatically alleviates the need for intensive calculations usually found in the presentation of symmetry. Writing computer programs helps the student achieve a firm understanding of the underlying concepts, and sample programs, based on Mathematica, are presented throughout the book. Containing over 150 exercises, this textbook is ideal for graduate students in condensed matter physics, materials science, and chemistry. Solutions and computer programs are available online at www.cambridge.org/9780521828451.

Computational Approaches in Physics

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Publisher : Morgan & Claypool Publishers
ISBN 13 : 168174418X
Total Pages : 166 pages
Book Rating : 4.6/5 (817 download)

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Book Synopsis Computational Approaches in Physics by : Maria Fyta

Download or read book Computational Approaches in Physics written by Maria Fyta and published by Morgan & Claypool Publishers. This book was released on 2016-11-01 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Approaches in Physics reviews computational schemes which are used in the simulations of physical systems. These range from very accurate ab initio techniques up to coarse-grained and mesoscopic schemes. The choice of the method is based on the desired accuracy and computational efficiency. A bottom-up approach is used to present the various simulation methods used in Physics, starting from the lower level and the most accurate methods, up to particle-based ones. The book outlines the basic theory underlying each technique and its complexity, addresses the computational implications and issues in the implementation, as well as present representative examples. A link to the most common computational codes, commercial or open source is listed in each chapter. The strengths and deficiencies of the variety of techniques discussed in this book are presented in detail and visualization tools commonly used to make the simulation data more comprehensive are also discussed. In the end, specific techniques are used as bridges across different disciplines. To this end, examples of different systems tackled with the same methods are presented. The appendices include elements of physical theory which are prerequisites in understanding the simulation methods.

COMPUTATIONAL solid state physics

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Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (439 download)

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Book Synopsis COMPUTATIONAL solid state physics by :

Download or read book COMPUTATIONAL solid state physics written by and published by . This book was released on 1972 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Quantum Chemistry, Solid-state Physics, and Computational Methods

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Publisher :
ISBN 13 : 9780471573494
Total Pages : 0 pages
Book Rating : 4.5/5 (734 download)

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Book Synopsis Quantum Chemistry, Solid-state Physics, and Computational Methods by : N. Yngve Ohrn

Download or read book Quantum Chemistry, Solid-state Physics, and Computational Methods written by N. Yngve Ohrn and published by . This book was released on 1991 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The Monte Carlo Method in Condensed Matter Physics

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Publisher : Springer Science & Business Media
ISBN 13 : 3662028557
Total Pages : 406 pages
Book Rating : 4.6/5 (62 download)

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Book Synopsis The Monte Carlo Method in Condensed Matter Physics by : Kurt Binder

Download or read book The Monte Carlo Method in Condensed Matter Physics written by Kurt Binder and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Monte Carlo method is now widely used and commonly accepted as an important and useful tool in solid state physics and related fields. It is broadly recognized that the technique of "computer simulation" is complementary to both analytical theory and experiment, and can significantly contribute to ad vancing the understanding of various scientific problems. Widespread applications of the Monte Carlo method to various fields of the statistical mechanics of condensed matter physics have already been reviewed in two previously published books, namely Monte Carlo Methods in Statistical Physics (Topics Curro Phys. , Vol. 7, 1st edn. 1979, 2ndedn. 1986) and Applications of the Monte Carlo Method in Statistical Physics (Topics Curro Phys. , Vol. 36, 1st edn. 1984, 2nd edn. 1987). Meanwhile the field has continued its rapid growth and expansion, and applications to new fields have appeared that were not treated at all in the above two books (e. g. studies of irreversible growth phenomena, cellular automata, interfaces, and quantum problems on lattices). Also, new methodic aspects have emerged, such as aspects of efficient use of vector com puters or parallel computers, more efficient analysis of simulated systems con figurations, and methods to reduce critical slowing down at i>hase transitions. Taken together with the extensive activity in certain traditional areas of research (simulation of classical and quantum fluids, of macromolecular materials, of spin glasses and quadrupolar glasses, etc.

Electronic Structure Calculations for Solids and Molecules

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Publisher : Cambridge University Press
ISBN 13 : 1139453483
Total Pages : 339 pages
Book Rating : 4.1/5 (394 download)

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Book Synopsis Electronic Structure Calculations for Solids and Molecules by : Jorge Kohanoff

Download or read book Electronic Structure Calculations for Solids and Molecules written by Jorge Kohanoff and published by Cambridge University Press. This book was released on 2006-06-29 with total page 339 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.

Strongly Correlated Systems

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Publisher : Springer Science & Business Media
ISBN 13 : 3642351069
Total Pages : 350 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Strongly Correlated Systems by : Adolfo Avella

Download or read book Strongly Correlated Systems written by Adolfo Avella and published by Springer Science & Business Media. This book was released on 2013-04-05 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents, for the very first time, an exhaustive collection of those modern numerical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and material science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciate consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possible way, with the working details of a specific technique.

Symmetry and Condensed Matter Physics

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Publisher : Cambridge University Press
ISBN 13 : 9780521828451
Total Pages : 936 pages
Book Rating : 4.8/5 (284 download)

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Book Synopsis Symmetry and Condensed Matter Physics by : M. El-Batanouny

Download or read book Symmetry and Condensed Matter Physics written by M. El-Batanouny and published by Cambridge University Press. This book was released on 2008-03-13 with total page 936 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unlike existing texts, this book blends for the first time three topics in physics - symmetry, condensed matter physics and computational methods - into one pedagogical textbook. It includes new concepts in mathematical crystallography, experimental methods capitalizing on symmetry aspects, non-conventional applications such as Fourier crystallography, color groups, quasicrystals and incommensurate systems, as well as concepts and techniques behind the Landau theory of phase transitions. Ideal for graduate students in condensed matter physics, materials science, and chemistry.

Computational Materials Science

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Publisher : Springer Science & Business Media
ISBN 13 : 9783540210511
Total Pages : 346 pages
Book Rating : 4.2/5 (15 download)

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Book Synopsis Computational Materials Science by : Wofram Hergert

Download or read book Computational Materials Science written by Wofram Hergert and published by Springer Science & Business Media. This book was released on 2004-04-29 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications.

Computational Pharmaceutical Solid State Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 1118700740
Total Pages : 450 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Computational Pharmaceutical Solid State Chemistry by : Yuriy A. Abramov

Download or read book Computational Pharmaceutical Solid State Chemistry written by Yuriy A. Abramov and published by John Wiley & Sons. This book was released on 2016-04-18 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. • Provides descriptive and applied state-of-the-art computational approaches and workflows to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection • Includes real industrial case examples related to application of modeling methods in problem solving • Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry, pharmaceutical and biotech sciences, and materials science