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Author: Harry Yserentant
Publisher: Springer
ISBN: 3642122485
Category : Mathematics
Languages : en
Pages : 194
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Book Description
The electronic Schrodi ̈ nger equation describes the motion of N electrons under Coulomb interaction forces in a eld of clamped nuclei. Solutions of this equation depend on 3N variables, three spatial dimensions for each electron. Approxim- ing the solutions is thus inordinately challenging, and it is conventionally believed that a reduction to simpli ed models, such as those of the Hartree-Fock method or density functional theory, is the only tenable approach. This book seeks to c- vince the reader that this conventional wisdom need not be ironclad: the regularity of the solutions, which increases with the number of electrons, the decay behavior of their mixed derivatives, and the antisymmetry enforced by the Pauli principle contribute properties that allow these functions to be approximated with an order of complexity which comes arbitrarily close to that for a system of one or two electrons. The present notes arose from lectures that I gave in Berlin during the academic year 2008/09 to introduce beginning graduate students of mathematics into this subject. They are kept on an intermediate level that should be accessible to an audience of this kind as well as to physicists and theoretical chemists with a c- responding mathematical training.
Author: Harry Yserentant
Publisher: Springer
ISBN: 3642122485
Category : Mathematics
Languages : en
Pages : 194
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Book Description
The electronic Schrodi ̈ nger equation describes the motion of N electrons under Coulomb interaction forces in a eld of clamped nuclei. Solutions of this equation depend on 3N variables, three spatial dimensions for each electron. Approxim- ing the solutions is thus inordinately challenging, and it is conventionally believed that a reduction to simpli ed models, such as those of the Hartree-Fock method or density functional theory, is the only tenable approach. This book seeks to c- vince the reader that this conventional wisdom need not be ironclad: the regularity of the solutions, which increases with the number of electrons, the decay behavior of their mixed derivatives, and the antisymmetry enforced by the Pauli principle contribute properties that allow these functions to be approximated with an order of complexity which comes arbitrarily close to that for a system of one or two electrons. The present notes arose from lectures that I gave in Berlin during the academic year 2008/09 to introduce beginning graduate students of mathematics into this subject. They are kept on an intermediate level that should be accessible to an audience of this kind as well as to physicists and theoretical chemists with a c- responding mathematical training.
Author: Randolph Bank
Publisher: Springer Science & Business Media
ISBN: 3642352758
Category : Mathematics
Languages : en
Pages : 702
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Book Description
These are the proceedings of the 20th international conference on domain decomposition methods in science and engineering. Domain decomposition methods are iterative methods for solving the often very large linearor nonlinear systems of algebraic equations that arise when various problems in continuum mechanics are discretized using finite elements. They are designed for massively parallel computers and take the memory hierarchy of such systems in mind. This is essential for approaching peak floating point performance. There is an increasingly well developed theory whichis having a direct impact on the development and improvements of these algorithms.
Author: Dinh Dũng
Publisher: Springer
ISBN: 3319922408
Category : Mathematics
Languages : en
Pages : 222
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Book Description
This book provides a systematic survey of classical and recent results on hyperbolic cross approximation. Motivated by numerous applications, the last two decades have seen great success in studying multivariate approximation. Multivariate problems have proven to be considerably more difficult than their univariate counterparts, and recent findings have established that multivariate mixed smoothness classes play a fundamental role in high-dimensional approximation. The book presents essential findings on and discussions of linear and nonlinear approximations of the mixed smoothness classes. Many of the important open problems explored here will provide both students and professionals with inspirations for further research.
Author: V. Temlyakov
Publisher: Cambridge University Press
ISBN: 1108608639
Category : Mathematics
Languages : en
Pages : 552
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Book Description
This self-contained, systematic treatment of multivariate approximation begins with classical linear approximation, and moves on to contemporary nonlinear approximation. It covers substantial new developments in the linear approximation theory of classes with mixed smoothness, and shows how it is directly related to deep problems in other areas of mathematics. For example, numerical integration of these classes is closely related to discrepancy theory and to nonlinear approximation with respect to special redundant dictionaries, and estimates of the entropy numbers of classes with mixed smoothness are closely related to (in some cases equivalent to) the Small Ball Problem from probability theory. The useful background material included in the book makes it accessible to graduate students. Researchers will find that the many open problems in the theory outlined in the book provide helpful directions and guidance for their own research in this exciting and active area.
Author: Boris N. Khoromskij
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 311036591X
Category : Mathematics
Languages : en
Pages : 382
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Book Description
The most difficult computational problems nowadays are those of higher dimensions. This research monograph offers an introduction to tensor numerical methods designed for the solution of the multidimensional problems in scientific computing. These methods are based on the rank-structured approximation of multivariate functions and operators by using the appropriate tensor formats. The old and new rank-structured tensor formats are investigated. We discuss in detail the novel quantized tensor approximation method (QTT) which provides function-operator calculus in higher dimensions in logarithmic complexity rendering super-fast convolution, FFT and wavelet transforms. This book suggests the constructive recipes and computational schemes for a number of real life problems described by the multidimensional partial differential equations. We present the theory and algorithms for the sinc-based separable approximation of the analytic radial basis functions including Green’s and Helmholtz kernels. The efficient tensor-based techniques for computational problems in electronic structure calculations and for the grid-based evaluation of long-range interaction potentials in multi-particle systems are considered. We also discuss the QTT numerical approach in many-particle dynamics, tensor techniques for stochastic/parametric PDEs as well as for the solution and homogenization of the elliptic equations with highly-oscillating coefficients. Contents Theory on separable approximation of multivariate functions Multilinear algebra and nonlinear tensor approximation Superfast computations via quantized tensor approximation Tensor approach to multidimensional integrodifferential equations
Author:
Publisher: Elsevier
ISBN: 0443239851
Category : Mathematics
Languages : en
Pages : 590
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Book Description
Numerical Analysis Meets Machine Learning series, highlights new advances in the field, with this new volume presenting interesting chapters. Each chapter is written by an international board of authors. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in the Handbook of Numerical Analysis series - Updated release includes the latest information on the Numerical Analysis Meets Machine Learning
Author: Volker Bach
Publisher: Springer
ISBN: 3319063790
Category : Science
Languages : en
Pages : 410
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Book Description
This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many-electron problem.
Author: Venera Khoromskaia
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110391376
Category : Mathematics
Languages : en
Pages : 343
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Book Description
The conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by using parallel architectures and high performance computing. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multivariate functions and operators discretized on Cartesian grids thus reducing solution of the multidimensional integral-differential equations to 1D calculations. We explain basic tensor formats and algorithms and show how the orthogonal Tucker tensor decomposition originating from chemometrics made a revolution in numerical analysis, relying on rigorous results from approximation theory. Benefits of tensor approach are demonstrated in ab-initio electronic structure calculations. Computation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, thus enabling accurate MATLAB calculations on a laptop using 3D uniform tensor grids of the size up to 1015. Fast tensor-based Hartree-Fock solver, incorporating the grid-based low-rank factorization of the two-electron integrals, serves as a prerequisite for economical calculation of the excitation energies of molecules. Tensor approach suggests efficient grid-based numerical treatment of the long-range electrostatic potentials on large 3D finite lattices with defects.The novel range-separated tensor format applies to interaction potentials of multi-particle systems of general type opening the new prospects for tensor methods in scientific computing. This research monograph presenting the modern tensor techniques applied to problems in quantum chemistry may be interesting for a wide audience of students and scientists working in computational chemistry, material science and scientific computing.
Author: Robert Adler
Publisher: Springer
ISBN: 3642195806
Category : Mathematics
Languages : en
Pages : 135
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Book Description
These notes, based on lectures delivered in Saint Flour, provide an easy introduction to the authors’ 2007 Springer monograph “Random Fields and Geometry.” While not as exhaustive as the full monograph, they are also less exhausting, while still covering the basic material, typically at a more intuitive and less technical level. They also cover some more recent material relating to random algebraic topology and statistical applications. The notes include an introduction to the general theory of Gaussian random fields, treating classical topics such as continuity and boundedness. This is followed by a quick review of geometry, both integral and Riemannian, with an emphasis on tube formulae, to provide the reader with the material needed to understand and use the Gaussian kinematic formula, the main result of the notes. This is followed by chapters on topological inference and random algebraic topology, both of which provide applications of the main results.
Author: Jan Lang
Publisher: Springer
ISBN: 3642184294
Category : Mathematics
Languages : en
Pages : 232
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Book Description
The main theme of the book is the study, from the standpoint of s-numbers, of integral operators of Hardy type and related Sobolev embeddings. In the theory of s-numbers the idea is to attach to every bounded linear map between Banach spaces a monotone decreasing sequence of non-negative numbers with a view to the classification of operators according to the way in which these numbers approach a limit: approximation numbers provide an especially important example of such numbers. The asymptotic behavior of the s-numbers of Hardy operators acting between Lebesgue spaces is determined here in a wide variety of cases. The proof methods involve the geometry of Banach spaces and generalized trigonometric functions; there are connections with the theory of the p-Laplacian.
