Download or read book Optimized LCAO Method and the Electronic Structure of Extended Systems written by Helmut Eschrig and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-01-19 with total page 229 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Optimized LCAO Method and the Electronic Structure of Extended Systems written by Helmut Eschrig and published by Springer. This book was released on 1989-05-22 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical and numerical details of an optimized LCAO (linear combination of atomic orbitals) method for the calculation of self-consistent bandstructures are given together with a variety of examples. The method will be a valuable tool both for researchers engaged in calculations and for scientists looking for numerical results of self-consistent bandstructure calculations. The presentation starts with an introduction to the modern many-body theory of electronic bandstructure. The essentials of the representation with a non-orthogonal basis and the usual tight-binding variants are critically reviewed. A variational approach to the optimization of atom-like basis orbitals is described together with an SCF procedure for band calculations. Complete numerical and graphic results for all elementary metals from lithium to zinc are given.
Download or read book Electronic Structure Methods for Complex Materials written by Wai-Yim Ching and published by OUP Oxford. This book was released on 2012-05-17 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
Download or read book Electronic Structure Calculations on Graphics Processing Units written by Ross C. Walker and published by John Wiley & Sons. This book was released on 2016-02-16 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics provides an overview of computing on graphics processing units (GPUs), a brief introduction to GPU programming, and the latest examples of code developments and applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and Slater type basis functions, plane waves, wavelets and real-space grid-based approaches. The chapters expose details on the calculation of two-electron integrals, exchange-correlation quadrature, Fock matrix formation, solution of the self-consistent field equations, calculation of nuclear gradients to obtain forces, and methods to treat excited states within DFT. Other chapters focus on semiempirical and correlated wave function methods including density fitted second order Møller-Plesset perturbation theory and both iterative and perturbative single- and multireference coupled cluster methods. Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics presents an accessible overview of the field for graduate students and senior researchers of theoretical and computational chemistry, condensed matter physics and materials science, as well as software developers looking for an entry point into the realm of GPU and hybrid GPU/CPU programming for electronic structure calculations.
Download or read book Electronic Structure and Physical Properties of Solids written by Hugues Dreysse and published by Springer Science & Business Media. This book was released on 2000-04-14 with total page 463 pages. Available in PDF, EPUB and Kindle. Book excerpt: A very comprehensive book, enabling the reader to understand the basic formalisms used in electronic structure determination and particularly the "Muffin Tin Orbitals" methods. The latest developments are presented, providing a very detailed description of the "Full Potential" schemes. This book will provide a real state of the art, since almost all of the contributions on formalism have not been, and will not be, published elsewhere. This book will become a standard reference volume. Moreover, applications in very active fields of today's research on magnetism are presented. A wide spectrum of such questions is covered by this book. For instance, the paper on interlayer exchange coupling should become a "classic", since there has been fantastic experimental activity for 10 years and this can be considered to be the "final" theoretical answer to this question. This work has never been presented in such a complete form.
Download or read book Electronic Structure of Alloys Surfaces and Clusters written by Abhijit Mookerjee and published by CRC Press. This book was released on 2002-11-28 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.
Download or read book Solid State Physics written by Giuseppe Grosso and published by Academic Press. This book was released on 2013-10-17 with total page 873 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid State Physics is a textbook for students of physics, material science, chemistry, and engineering. It is the state-of-the-art presentation of the theoretical foundations and application of the quantum structure of matter and materials. This second edition provides timely coverage of the most important scientific breakthroughs of the last decade (especially in low-dimensional systems and quantum transport). It helps build readers' understanding of the newest advances in condensed matter physics with rigorous yet clear mathematics. Examples are an integral part of the text, carefully designed to apply the fundamental principles illustrated in the text to currently active topics of research. Basic concepts and recent advances in the field are explained in tutorial style and organized in an intuitive manner. The book is a basic reference work for students, researchers, and lecturers in any area of solid-state physics. - Features additional material on nanostructures, giving students and lecturers the most significant features of low-dimensional systems, with focus on carbon allotropes - Offers detailed explanation of dissipative and nondissipative transport, and explains the essential aspects in a field, which is commonly overlooked in textbooks - Additional material in the classical and quantum Hall effect offers further aspects on magnetotransport, with particular emphasis on the current profiles - Gives a broad overview of the band structure of solids, as well as presenting the foundations of the electronic band structure. Also features reported with new and revised material, which leads to the latest research
Download or read book Nonlinear Waves 1 written by Andrei V. Gaponov-Grekhov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since 1972 the Schools on Nonlinear Physics in Gorky have been a meeting place for Soviet scientists working in this field. Instead of producing for the first time English proceedings it has been decided to present a good cross section of nonlinear physics in the USSR. Thus the participants at the last School were invited to provide English reviews and research papers for these two volumes (which in the years to come will be followed by the proceedings of forthcoming schools). The first volume starts with a historical overview of nonlinear dynamics from Poincaré to the present day and touches topics like attractors, nonlinear oscillators and waves, turbulence, pattern formation, and dynamics of structures in nonequilibrium dissipative media. It then deals with structures, bistabilities, instabilities, chaos, dynamics of defects in 1d systems, self-organizations, solitons, spatio-temporal structures and wave collapse in optical systems, lasers, plasmas, reaction-diffusion systems and solids.
Download or read book Computational Methods for Large Systems written by Jeffrey R. Reimers and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.
Download or read book Nonlinear Evolution Equations and Dynamical Systems written by Vladimir G. Makhankov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the 6th International Workshop, 16-26 July 1990, Dubna, USSR
Download or read book Nonlinear Evolution Equations and Dynamical Systems written by Sandra Carillo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nonlinear Evolution Equations and Dynamical Systems (NEEDS) provides a presentation of the state of the art. Except for a few review papers, the 40 contributions are intentially brief to give only the gist of the methods, proofs, etc. including references to the relevant litera- ture. This gives a handy overview of current research activities. Hence, the book should be equally useful to the senior resercher as well as the colleague just entering the field. Keypoints treated are: i) integrable systems in multidimensions and associated phenomenology ("dromions"); ii) criteria and tests of integrability (e.g., Painlev test); iii) new developments related to the scattering transform; iv) algebraic approaches to integrable systems and Hamiltonian theory (e.g., connections with Young-Baxter equations and Kac-Moody algebras); v) new developments in mappings and cellular automata, vi) applications to general relativity, condensed matter physics, and oceanography.
Download or read book The Augmented Spherical Wave Method written by Volker Eyert and published by Springer. This book was released on 2007-06-26 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Augmented Spherical Wave (ASW) method is one of the powerful approaches to handle the requirement of finite basis sets in DFT calculations. It is particularly suited for the calculation of elastic properties and phonon spectra of solid-state materials. This book addresses all those who want to learn about methods for electronic structure calculations and the ASW method in particular.
Download or read book Nonlinear Waves written by Andrei V. Gaponov-Grekhov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since 1972 the Schools on Nonlinear Physics in Gorky have been a meeting place for Soviet scientists working in this field. Instead of producing for the first time English proceedings it has been decided to present a good cross section of nonlinear physics in the USSR. Thus the participants at the last School were invited to provide English reviews and research papers for these two volumes (which in the years to come will be followed by the proceedings of forthcoming schools). The second volume deals with dynamical chaos in classical and quantum systems, with evolution in chemical systems and self-organisation in biology, and with applications of nonlinear dynamics to condensed matter, sea waves, and astrophysics.
Download or read book Computational Physics written by Karl H. Hoffmann and published by Springer. This book was released on 2012-12-06 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Physics. Selected Methods, Simple Exercises, Serious Applications is an overview written by leading researchers of a variety of fields and developments. Selected Methods introduce the reader to current fields, including molecular dynamics, hybrid Monte-Carlo algorithms, and neural networks. Simple Exercises give hands-on advice for effective program solutions from a small number of lines to demonstration programs with elaborate graphics. Serious Applications show how questions concerning, for example, aging, many-minima optimisation, or phase transitions can be treated by appropriate tools. The source code and demonstration graphics are included on a 3.5" MS-DOS diskette.
Download or read book Superconducting Quantum Electronics written by Volkmar Kose and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 313 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the surprising discovery of superconductivity at temperatures above 100 K, this field was not only brought into the public eye, but also stimulated research in universities, scientific institutions and industry, thus continuing the fascinating development which began with the discovery of the Josephson effect in the sixties. Cryoelectronics has become a special branch of cryophysics and cryotechnics and today plays a prominent role whenever high resolution and precision measurements are required. Motivated by this development, seven years ago scientists working in cryoelectronics in the Federal Republic of Germany felt the necessity for regular meetings allowing a free exchange of ideas and results achieved. Seminars under the title of "Kryoelektronische Bauelemente" were held for the first time at the Physikalisch-Technische Bundesanstalt in Braunschweig in 1982 on the occasion of the 100th anniversary of the birth of Walther MeiBner, a pioneer in superconductivity. Since then, meetings have been held every year at different venues in Germany. It is now felt that the status of this field necessitates a review of the results of the past, a description of the current state of the art, and a discussion of future perspectives. This book, entitled SUPERCONDUCTING QUANTUM ELECTRONICS is a collection of invited lectures and contributions which will inform the reader on the most interesting problems involving fundamentals, sensitive detectors and precision metrology being studied by different groups.
Download or read book Nonlinear Waves 3 written by Andrei V. Gaponov-Grekhov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since 1972 the Schools on Nonlinear Physics in Gorky have been a meeting place for Soviet Scientists working in this field. Since 1989 the proceedings appear in English. They present a good cross section of nonlinear physics in the USSR. This third volume emerged from material presented at the 1989 School. It contains sections dealing with nonlinear problems in physics and astrophysics, quantum and solid state physics, dynamical chaos and self-organization.
Download or read book Nonlinear Physics written by Chaohao Gu and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: These refereed proceedings present recent developments on specific mathematical and physical aspects of nonlinear dynamics. The new findings discussed in here will be equally useful to graduate students and researchers. The topics dealt with cover a wide range of phenomena: solitons, integrable systems, Hamiltonian structures, Bäcklund and Darboux transformation, symmetries, fi- nite-dimensional dynamical systems, quantum and statistical mechanics, knot theory and braid group, R-matrix method, Hirota and Painlevé analysis, and applications to water waves, lattices, porous media, string theory and even cellular automata.
