Spectral Methods in Chemistry and Physics PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Spectral Methods in Chemistry and Physics PDF full book. Access full book title Spectral Methods in Chemistry and Physics by Bernard Shizgal. Download full books in PDF and EPUB format.
Author: Bernard Shizgal
Publisher: Springer
ISBN: 9401794545
Category : Science
Languages : en
Pages : 431
Get Book Here
Book Description
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.
Author: Bernard Shizgal
Publisher: Springer
ISBN: 9401794545
Category : Science
Languages : en
Pages : 431
Get Book Here
Book Description
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.
Author: Olivier Le Maitre
Publisher: Springer Science & Business Media
ISBN: 9048135206
Category : Science
Languages : en
Pages : 542
Get Book Here
Book Description
This book deals with the application of spectral methods to problems of uncertainty propagation and quanti?cation in model-based computations. It speci?cally focuses on computational and algorithmic features of these methods which are most useful in dealing with models based on partial differential equations, with special att- tion to models arising in simulations of ?uid ?ows. Implementations are illustrated through applications to elementary problems, as well as more elaborate examples selected from the authors’ interests in incompressible vortex-dominated ?ows and compressible ?ows at low Mach numbers. Spectral stochastic methods are probabilistic in nature, and are consequently rooted in the rich mathematical foundation associated with probability and measure spaces. Despite the authors’ fascination with this foundation, the discussion only - ludes to those theoretical aspects needed to set the stage for subsequent applications. The book is authored by practitioners, and is primarily intended for researchers or graduate students in computational mathematics, physics, or ?uid dynamics. The book assumes familiarity with elementary methods for the numerical solution of time-dependent, partial differential equations; prior experience with spectral me- ods is naturally helpful though not essential. Full appreciation of elaborate examples in computational ?uid dynamics (CFD) would require familiarity with key, and in some cases delicate, features of the associated numerical methods. Besides these shortcomings, our aim is to treat algorithmic and computational aspects of spectral stochastic methods with details suf?cient to address and reconstruct all but those highly elaborate examples.
Author: John P. Boyd
Publisher: Courier Corporation
ISBN: 0486411834
Category : Mathematics
Languages : en
Pages : 690
Get Book Here
Book Description
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.
Author: George Rawitscher
Publisher: Springer
ISBN: 3319427032
Category : Science
Languages : en
Pages : 227
Get Book Here
Book Description
This monograph presents fundamental aspects of modern spectral and other computational methods, which are not generally taught in traditional courses. It emphasizes concepts as errors, convergence, stability, order and efficiency applied to the solution of physical problems. The spectral methods consist in expanding the function to be calculated into a set of appropriate basis functions (generally orthogonal polynomials) and the respective expansion coefficients are obtained via collocation equations. The main advantage of these methods is that they simultaneously take into account all available information, rather only the information available at a limited number of mesh points. They require more complicated matrix equations than those obtained in finite difference methods. However, the elegance, speed, and accuracy of the spectral methods more than compensates for any such drawbacks. During the course of the monograph, the authors examine the usually rapid convergence of the spectral expansions and the improved accuracy that results when nonequispaced support points are used, in contrast to the equispaced points used in finite difference methods. In particular, they demonstrate the enhanced accuracy obtained in the solutionof integral equations. The monograph includes an informative introduction to old and new computational methods with numerous practical examples, while at the same time pointing out the errors that each of the available algorithms introduces into the specific solution. It is a valuable resource for undergraduate students as an introduction to the field and for graduate students wishing to compare the available computational methods. In addition, the work develops the criteria required for students to select the most suitable method to solve the particular scientific problem that they are confronting.
Author: Claudio Canuto
Publisher: Springer Science & Business Media
ISBN: 3642841082
Category : Science
Languages : en
Pages : 582
Get Book Here
Book Description
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.
Author: Dzevad Belkic
Publisher: CRC Press
ISBN: 9781420033601
Category : Mathematics
Languages : en
Pages : 486
Get Book Here
Book Description
Quantum-Mechanical Signal Processing and Spectral Analysis describes the novel application of quantum mechanical methods to signal processing across a range of interdisciplinary research fields. Conventionally, signal processing is viewed as an engineering discipline with its own specific scope, methods, concerns and priorities, not usually encompassing quantum mechanics. However, the dynamics of systems that generate time signals can be successfully described by the general principles and methods of quantum physics, especially within the Schroedinger framework. Most time signals that are measured experimentally are mathematically equivalent to quantum-mechanical auto-correlation functions built from the evolution operator and wavefunctions. This fact allows us to apply the rich conceptual strategies and mathematical apparatus of quantum mechanics to signal processing. Among the leading quantum-mechanical signal processing methods, this book emphasizes the role of Pade approximant and the Lanczos algorithm, highlighting the major benefits of their combination. These two methods are carefully incorporated within a unified framework of scattering and spectroscopy, developing an algorithmic power that can be exported to other disciplines. The novelty of the author's approach to key signal processing problems, the harmonic inversion and the moment problem, is in establishing the Pade approximant and Lanczos algorithm as entirely algerbraic spectral estimators. This is of paramount theoretical and practical importance, as now spectral analysis can be carried out from closed analytical expressions. This overrides the notorious mathematical ill-conditioning problems with round-off errors that plague inverse reconstructions in those fields that rely upon signal processing. Quantum-Mechanical Signal Processing and Spectral Analysis will be an invaluable resource for researchers involved in signal processing across a wide range of disciplines.
Author: Hemen Dutta
Publisher: John Wiley & Sons
ISBN: 1119654238
Category : Mathematics
Languages : en
Pages : 336
Get Book Here
Book Description
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.
Author: Ben-yu Guo
Publisher: World Scientific
ISBN: 9814496642
Category : Mathematics
Languages : en
Pages : 359
Get Book Here
Book Description
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.
Author: George Karniadakis
Publisher: American Chemical Society
ISBN: 0199671362
Category : Mathematics
Languages : en
Pages : 676
Get Book Here
Book Description
Revision of: Spectral/hp element methods for CFD. 1999.
Author: David Z. Goodson
Publisher: John Wiley & Sons
ISBN: 1118135172
Category : Science
Languages : en
Pages : 408
Get Book Here
Book Description
Mathematical Methods for Physical and Analytical Chemistry presents mathematical and statistical methods to students of chemistry at the intermediate, post-calculus level. The content includes a review of general calculus; a review of numerical techniques often omitted from calculus courses, such as cubic splines and Newton’s method; a detailed treatment of statistical methods for experimental data analysis; complex numbers; extrapolation; linear algebra; and differential equations. With numerous example problems and helpful anecdotes, this text gives chemistry students the mathematical knowledge they need to understand the analytical and physical chemistry professional literature.
