Regularity And Approximability Of Electronic Wave Functions
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Regularity And Approximability Of Electronic Wave Functions
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Author : Harry Yserentant
language : en
Publisher: Springer
Release Date : 2010-05-19
Regularity And Approximability Of Electronic Wave Functions written by Harry Yserentant and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-05-19 with Mathematics categories.
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.
Domain Decomposition Methods In Science And Engineering Xx
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Author : Randolph Bank
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-07-03
Domain Decomposition Methods In Science And Engineering Xx written by Randolph Bank 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 2013-07-03 with Mathematics categories.
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.
Hyperbolic Cross Approximation
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Author : Dinh Dũng
language : en
Publisher: Springer
Release Date : 2018-11-02
Hyperbolic Cross Approximation written by Dinh Dũng and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-11-02 with Mathematics categories.
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.
Blow Up Theories For Semilinear Parabolic Equations
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Author : Bei Hu
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-03-23
Blow Up Theories For Semilinear Parabolic Equations written by Bei Hu 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 2011-03-23 with Mathematics categories.
There is an enormous amount of work in the literature about the blow-up behavior of evolution equations. It is our intention to introduce the theory by emphasizing the methods while seeking to avoid massive technical computations. To reach this goal, we use the simplest equation to illustrate the methods; these methods very often apply to more general equations.
Lebesgue And Sobolev Spaces With Variable Exponents
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Author : Lars Diening
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-03-31
Lebesgue And Sobolev Spaces With Variable Exponents written by Lars Diening 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 2011-03-31 with Mathematics categories.
The field of variable exponent function spaces has witnessed an explosive growth in recent years. The standard reference article for basic properties is already 20 years old. Thus this self-contained monograph collecting all the basic properties of variable exponent Lebesgue and Sobolev spaces is timely and provides a much-needed accessible reference work utilizing consistent notation and terminology. Many results are also provided with new and improved proofs. The book also presents a number of applications to PDE and fluid dynamics.
Tensor Numerical Methods In Scientific Computing
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Author : Boris N. Khoromskij
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2018-06-11
Tensor Numerical Methods In Scientific Computing written by Boris N. Khoromskij and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-11 with Mathematics categories.
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
Multivariate Approximation
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Author : V. Temlyakov
language : en
Publisher: Cambridge University Press
Release Date : 2018-07-19
Multivariate Approximation written by V. Temlyakov and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-07-19 with Computers categories.
Self-contained presentation of multivariate approximation from classical linear approximation to contemporary nonlinear approximation.
Tensor Numerical Methods In Quantum Chemistry
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Author : Venera Khoromskaia
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2018-06-11
Tensor Numerical Methods In Quantum Chemistry written by Venera Khoromskaia and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-11 with Mathematics categories.
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.
Numerical Analysis Meets Machine Learning
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Author :
language : en
Publisher: Elsevier
Release Date : 2024-06-13
Numerical Analysis Meets Machine Learning written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-06-13 with Mathematics categories.
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
Many Electron Approaches In Physics Chemistry And Mathematics
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Author : Volker Bach
language : en
Publisher: Springer
Release Date : 2014-07-01
Many Electron Approaches In Physics Chemistry And Mathematics written by Volker Bach and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-01 with Science categories.
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.