General Quantum Numerical Analysis


Book Description

This book is focused on the qualitative theory of general quantum calculus, the modern name for the investigation of calculus without limits. It centers on designing, analysing and applying computational techniques for general quantum differential equations. The quantum calculus or q-calculus began with F.H. Jackson in the early twentieth century, but this kind of calculus had already been worked out by Euler and Jacobi. Recently, it has aroused interest due to high demand of mathematics that models quantum computing and the connection between mathematics and physics. Quantum calculus has many applications in different mathematical areas such as number theory, combinatorics, orthogonal polynomials, basic hyper-geometric functions and other sciences such as quantum theory, mechanics and the theory of relativity. The authors summarize the most recent contributions in this area. General Quantum Numerical Analysis is intended for senior undergraduate students and beginning graduate students of engineering and science courses. The twelve chapters in this book are pedagogically organized, each concluding with a section of practical problems.




General Quantum Variational Calculus


Book Description

Quantum calculus is the modern name for the investigation of calculus without limits. Quantum calculus, or q-calculus, began with F.H. Jackson in the early twentieth century, but this kind of calculus had already been worked out by renowned mathematicians Euler and Jacobi. Lately, quantum calculus has aroused a great amount of interest due to the high demand of mathematics that model quantum computing. The q-calculus appeared as a connection between mathematics and physics. It has a lot of applications in different mathematical areas such as number theory, combinatorics, orthogonal polynomials, basic hypergeometric functions and other quantum theory sciences, mechanics, and the theory of relativity. Recently, the concept of general quantum difference operators that generalize quantum calculus has been defined. General Quantum Variational Calculus is specially designed for those who wish to understand this important mathematical concept, as the text encompasses recent developments of general quantum variational calculus. The material is presented in a highly readable, mathematically solid format. Many practical problems are illustrated, displaying a wide variety of solution techniques. This book is addressed to a wide audience of specialists such as mathematicians, physicists, engineers, and biologists. It can be used as a textbook at the graduate level and as a reference for several disciplines.




Tensor Numerical Methods in Quantum Chemistry


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.




Quantum-Mechanical Signal Processing and Spectral Analysis


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.




Numerical Algorithms


Book Description

Numerical Algorithms: Methods for Computer Vision, Machine Learning, and Graphics presents a new approach to numerical analysis for modern computer scientists. Using examples from a broad base of computational tasks, including data processing, computational photography, and animation, the textbook introduces numerical modeling and algorithmic desig




How to Think About Analysis


Book Description

Analysis (sometimes called Real Analysis or Advanced Calculus) is a core subject in most undergraduate mathematics degrees. It is elegant, clever and rewarding to learn, but it is hard. Even the best students find it challenging, and those who are unprepared often find it incomprehensible at first. This book aims to ensure that no student need be unprepared. It is not like other Analysis books. It is not a textbook containing standard content. Rather, it is designed to be read before arriving at university and/or before starting an Analysis course, or as a companion text once a course is begun. It provides a friendly and readable introduction to the subject by building on the student's existing understanding of six key topics: sequences, series, continuity, differentiability, integrability and the real numbers. It explains how mathematicians develop and use sophisticated formal versions of these ideas, and provides a detailed introduction to the central definitions, theorems and proofs, pointing out typical areas of difficulty and confusion and explaining how to overcome these. The book also provides study advice focused on the skills that students need if they are to build on this introduction and learn successfully in their own Analysis courses: it explains how to understand definitions, theorems and proofs by relating them to examples and diagrams, how to think productively about proofs, and how theories are taught in lectures and books on advanced mathematics. It also offers practical guidance on strategies for effective study planning. The advice throughout is research based and is presented in an engaging style that will be accessible to students who are new to advanced abstract mathematics.




Handbook of Exact Solutions to Mathematical Equations


Book Description

This reference book describes the exact solutions of the following types of mathematical equations: ● Algebraic and Transcendental Equations ● Ordinary Differential Equations ● Systems of Ordinary Differential Equations ● First-Order Partial Differential Equations ● Linear Equations and Problems of Mathematical Physics ● Nonlinear Equations of Mathematical Physics ● Systems of Partial Differential Equations ● Integral Equations ● Difference and Functional Equations ● Ordinary Functional Differential Equations ● Partial Functional Differential Equations The book delves into equations that find practical applications in a wide array of natural and engineering sciences, including the theory of heat and mass transfer, wave theory, hydrodynamics, gas dynamics, combustion theory, elasticity theory, general mechanics, theoretical physics, nonlinear optics, biology, chemical engineering sciences, ecology, and more. Most of these equations are of a reasonably general form and dependent on free parameters or arbitrary functions. The Handbook of Exact Solutions to Mathematical Equations generally has no analogs in world literature and contains a vast amount of new material. The exact solutions given in the book, being rigorous mathematical standards, can be used as test problems to assess the accuracy and verify the adequacy of various numerical and approximate analytical methods for solving mathematical equations, as well as to check and compare the effectiveness of exact analytical methods.




The Birth of Numerical Analysis


Book Description

The 1947 paper by John von Neumann & Herman Goldstine, 'Numerical Inverting of Matrices of High Order', is considered as the birth certificate of numerical analysis. Since its publication, the evolution of this domain has been enormous. This book collects contributions by researchers who have lived through this evolution.




Mathematical Concepts of Quantum Mechanics


Book Description

The book gives a streamlined introduction to quantum mechanics while describing the basic mathematical structures underpinning this discipline. Starting with an overview of key physical experiments illustrating the origin of the physical foundations, the book proceeds with a description of the basic notions of quantum mechanics and their mathematical content. It then makes its way to topics of current interest, specifically those in which mathematics plays an important role. The more advanced topics presented include many-body systems, modern perturbation theory, path integrals, the theory of resonances, quantum statistics, mean-field theory, second quantization, the theory of radiation (non-relativistic quantum electrodynamics), and the renormalization group. With different selections of chapters, the book can serve as a text for an introductory, intermediate, or advanced course in quantum mechanics. The last four chapters could also serve as an introductory course in quantum field theory.




Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics


Book Description

This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied. Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.