Spectral Methods In Chemistry And Physics
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Spectral Methods In Chemistry And Physics
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Author : Bernard Shizgal
language : en
Publisher: Springer
Release Date : 2015-01-07
Spectral Methods In Chemistry And Physics written by Bernard Shizgal and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-01-07 with Science categories.
This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resolution of the Gibbs phenomenon. Classical and non-classical quadratures are used for the evaluation of integrals in reaction dynamics including nuclear fusion, radial integrals in density functional theory, in elastic scattering theory and other applications. The subject matter includes the calculation of transport coefficients in gases and other gas dynamical problems based on spectral and pseudospectral solutions of the Boltzmann equation. Radiative transfer in astrophysics and atmospheric science, and applications to space physics are discussed. The relaxation of initial non-equilibrium distributions to equilibrium for several different systems is studied with the Boltzmann and Fokker-Planck equations. The eigenvalue spectra of the linear operators in the Boltzmann, Fokker-Planck and Schrödinger equations are studied with spectral and pseudospectral methods based on non-classical orthogonal polynomials. The numerical methods referred to as the Discrete Ordinate Method, Differential Quadrature, the Quadrature Discretization Method, the Discrete Variable Representation, the Lagrange Mesh Method, and others are discussed and compared. MATLAB codes are provided for most of the numerical results reported in the book - see Link under 'Additional Information' on the the right-hand column.
Chebyshev And Fourier Spectral Methods
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Author : John P. Boyd
language : en
Publisher: Courier Corporation
Release Date : 2001-12-03
Chebyshev And Fourier Spectral Methods written by John P. Boyd and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-12-03 with Mathematics categories.
Completely revised text focuses on use of spectral methods to solve boundary value, eigenvalue, and time-dependent problems, but also covers Hermite, Laguerre, rational Chebyshev, sinc, and spherical harmonic functions, as well as cardinal functions, linear eigenvalue problems, matrix-solving methods, coordinate transformations, methods for unbounded intervals, spherical and cylindrical geometry, and much more. 7 Appendices. Glossary. Bibliography. Index. Over 160 text figures.
Chebyshev And Fourier Spectral Methods
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Author : John P. Boyd
language : en
Publisher: Courier Corporation
Release Date : 2013-06-05
Chebyshev And Fourier Spectral Methods written by John P. Boyd and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-05 with Mathematics categories.
Completely revised text focuses on use of spectral methods to solve boundary value, eigenvalue, and time-dependent problems, but also covers Hermite, Laguerre, rational Chebyshev, sinc, and spherical harmonic functions, as well as cardinal functions, linear eigenvalue problems, matrix-solving methods, coordinate transformations, methods for unbounded intervals, spherical and cylindrical geometry, and much more. 7 Appendices. Glossary. Bibliography. Index. Over 160 text figures.
Spectral Methods In Fluid Dynamics
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Author : C. Canuto
language : en
Publisher:
Release Date : 1988
Spectral Methods In Fluid Dynamics written by C. Canuto and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988 with Science categories.
Spectral Methods In Fluid Dynamics
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Author : Claudio Canuto
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Spectral Methods In Fluid Dynamics written by Claudio Canuto and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
This is a book about spectral methods for partial differential equations: when to use them, how to implement them, and what can be learned from their of spectral methods has evolved rigorous theory. The computational side vigorously since the early 1970s, especially in computationally intensive of the more spectacular applications are applications in fluid dynamics. Some of the power of these discussed here, first in general terms as examples of the methods have been methods and later in great detail after the specifics covered. This book pays special attention to those algorithmic details which are essential to successful implementation of spectral methods. The focus is on algorithms for fluid dynamical problems in transition, turbulence, and aero dynamics. This book does not address specific applications in meteorology, partly because of the lack of experience of the authors in this field and partly because of the coverage provided by Haltiner and Williams (1980). The success of spectral methods in practical computations has led to an increasing interest in their theoretical aspects, especially since the mid-1970s. Although the theory does not yet cover the complete spectrum of applications, the analytical techniques which have been developed in recent years have facilitated the examination of an increasing number of problems of practical interest. In this book we present a unified theory of the mathematical analysis of spectral methods and apply it to many of the algorithms in current use.
Spectral Methods And Their Applications
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Author : Benyu Guo
language : en
Publisher: World Scientific
Release Date : 1998
Spectral Methods And Their Applications written by Benyu Guo and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Mathematics categories.
This book presents the basic algorithms, the main theoretical results, and some applications of spectral methods. Particular attention is paid to the applications of spectral methods to nonlinear problems arising in fluid dynamics, quantum mechanics, weather prediction, heat conduction and other fields.The book consists of three parts. The first part deals with orthogonal approximations in Sobolev spaces and the stability and convergence of approximations for nonlinear problems, as the mathematical foundation of spectral methods. In the second part, various spectral methods are described, with some applications. It includes Fourier spectral method, Legendre spectral method, Chebyshev spectral method, spectral penalty method, spectral vanishing viscosity method, spectral approximation of isolated solutions, multi-dimensional spectral method, spectral method for high-order equations, spectral-domain decomposition method and spectral multigrid method. The third part is devoted to some recent developments of spectral methods, such as mixed spectral methods, combined spectral methods and spectral methods on the surface.
Chemistry At The Frontier With Physics And Computer Science
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Author : Sergio Rampino
language : en
Publisher: Elsevier
Release Date : 2022-05-16
Chemistry At The Frontier With Physics And Computer Science written by Sergio Rampino and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-16 with Science categories.
Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields. - Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives - Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation - Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding
Learning With Fractional Orthogonal Kernel Classifiers In Support Vector Machines
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Author : Jamal Amani Rad
language : en
Publisher: Springer Nature
Release Date : 2023-03-18
Learning With Fractional Orthogonal Kernel Classifiers In Support Vector Machines written by Jamal Amani Rad and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-03-18 with Mathematics categories.
This book contains select chapters on support vector algorithms from different perspectives, including mathematical background, properties of various kernel functions, and several applications. The main focus of this book is on orthogonal kernel functions, and the properties of the classical kernel functions—Chebyshev, Legendre, Gegenbauer, and Jacobi—are reviewed in some chapters. Moreover, the fractional form of these kernel functions is introduced in the same chapters, and for ease of use for these kernel functions, a tutorial on a Python package named ORSVM is presented. The book also exhibits a variety of applications for support vector algorithms, and in addition to the classification, these algorithms along with the introduced kernel functions are utilized for solving ordinary, partial, integro, and fractional differential equations. On the other hand, nowadays, the real-time and big data applications of support vector algorithms are growing. Consequently, the Compute Unified Device Architecture (CUDA) parallelizing the procedure of support vector algorithms based on orthogonal kernel functions is presented. The book sheds light on how to use support vector algorithms based on orthogonal kernel functions in different situations and gives a significant perspective to all machine learning and scientific machine learning researchers all around the world to utilize fractional orthogonal kernel functions in their pattern recognition or scientific computing problems.
Fractional Order Analysis
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Author : Hemen Dutta
language : en
Publisher: John Wiley & Sons
Release Date : 2020-09-01
Fractional Order Analysis written by Hemen Dutta and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-01 with Mathematics categories.
A guide to the new research in the field of fractional order analysis Fractional Order Analysis contains the most recent research findings in fractional order analysis and its applications. The authors—noted experts on the topic—offer an examination of the theory, methods, applications, and the modern tools and techniques in the field of fractional order analysis. The information, tools, and applications presented can help develop mathematical methods and models with better accuracy. Comprehensive in scope, the book covers a range of topics including: new fractional operators, fractional derivatives, fractional differential equations, inequalities for different fractional derivatives and fractional integrals, fractional modeling related to transmission of Malaria, and dynamics of Zika virus with various fractional derivatives, and more. Designed to be an accessible text, several useful, relevant and connected topics can be found in one place, which is crucial for an understanding of the research problems of an applied nature. This book: Contains recent development in fractional calculus Offers a balance of theory, methods, and applications Puts the focus on fractional analysis and its interdisciplinary applications, such as fractional models for biological models Helps make research more relevant to real-life applications Written for researchers, professionals and practitioners, Fractional Order Analysis offers a comprehensive resource to fractional analysis and its many applications as well as information on the newest research.
Persistent Spectral Hole Burning Science And Applications
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Author : William E. Moerner
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Persistent Spectral Hole Burning Science And Applications written by William E. Moerner and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Almost fifteen years have now elapsed since the first observations of per sistent spectral hole-burning in inhomogeneously broadened absorption lines in solids. The fact that the spectral shape of an inhomogeneously broadened line can be locally modified for long periods of time has led to a large number of investigations of low-temperature photophysics and photochemistry that would not have been possible otherwise. Using hole burning, important information has been obtained about a variety of in teractions, including excited-state dephasing processes, host-guest dynam ics, proton tunnelling, low-frequency excitation in amorphous hosts, relaxation mechanisms for vibrational modes, photochemical mechanisms at liquid helium temperatures, and external field perturbations. At the same time, the possibility that persistent spectral holes might be used to store digital information has led to the study of materials and configura tions for frequency-domain optical storage and related possible applica tions. This is the first full-length book on persistent spectral hole-burning. The goal is to provide a broadly based survey of the scientific principles and applications of persistent spectral hole-burning. Since the topic is quite interdisciplinary, the book is intended for researchers, graduate stu dents, and advanced undergraduates in the fields of chemical physics, solid-state physics, laser spectroscopy, solid-state photochemistry, and high-performance optical storage and optical processing.