"The DFT can be understood as a numerical approximation to the Fourier transform. However, the DFT has its own exact Fourier theory, and that is the focus of this book. The DFT is normally encountered as the Fast Fourier Transform (FFT)--a high-speed algorithm for computing the DFT. The FFT is used extensively in a wide range of digital signal processing applications, including spectrum analysis, high-speed convolution (linear filtering), filter banks, signal detection and estimation, system identification, audio compression (such as MPEG-II AAC), spectral modeling sound synthesis, and many others. In this book, certain topics in digital audio signal processing are introduced as example applications of the DFT"--Back cover

This book explores both the practical and theoretical aspects of the Discrete Fourier Transform, one of the most widely used tools in science, engineering, and computational mathematics. Designed to be accessible to an audience with diverse interests and mathematical backgrounds, the book is written in an informal style and is supported by many examples, figures, and problems. Conceived as an "owner's" manual, this comprehensive book covers such topics as the history of the DFT, derivations and properties of the DFT, comprehensive error analysis, issues concerning the implementation of the DFT in one and several dimensions, symmetric DFTs, a sample of DFT applications, and an overview of the FFT.

Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.

Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.

This book is intended to be a comprehensive reference to multiplicative com plexity theory as applied to digital signal processing computations. Although a few algorithms are included to illustrate the theory, I concentrated more on the develop ment of the theory itself. Howie Johnson's infectious enthusiasm for designing efficient DfT algorithms got me interested in this subject. I am grateful to Prof. Sid Burrus for encouraging and supporting me in this effort. I would also like to thank Henrik Sorensen and Doug Jones for many stimulating discussions. lowe a great debt to Shmuel Winograd, who, almost singlehandedly, provided most of the key theoretical results that led to this present work. His monograph, Arithmetic Complexity o/Computations, introduced me to the mechanism behind the proofs of theorems in multiplicative complexity. enabling me to return to his earlier papers and appreciate the elegance of his methods for deriving the theory. The second key work that influenced me was the paper by Louis Auslander and Winograd on multiplicative complexity of semilinear systems defined by polynomials. After reading this paper, it was clear to me that this theory could be applied to many impor tant computational problems. These influences can be easily discerned in the present work.

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.

"This book describes a new theoretical approach--Dynamic Field Theory (DFT)--that explains how people think and act"--

The growth in the field of digital signal processing began with the simulation of continuous-time systems in the 1950s, even though the origin of the field can be traced back to 400 years when methods were developed to solve numerically problems such as interpolation and integration. During the last 40 years, there have been phenomenal advances in the theory and application of digital signal processing. In many applications, the representation of a discrete-time signal or a sys tem in the frequency domain is of interest. To this end, the discrete-time Fourier transform (DTFT) and the z-transform are often used. In the case of a discrete-time signal of finite length, the most widely used frequency-domain representation is the discrete Fourier transform (DFT) which results in a finite length sequence in the frequency domain. The DFT is simply composed of the samples of the DTFT of the sequence at equally spaced frequency points, or equivalently, the samples of its z-transform at equally spaced points on the unit circle. The DFT provides information about the spectral contents of the signal at equally spaced discrete frequency points, and thus, can be used for spectral analysis of signals. Various techniques, commonly known as the fast Fourier transform (FFT) algorithms, have been advanced for the efficient com putation of the DFT. An important tool in digital signal processing is the linear convolution of two finite-length signals, which often can be implemented very efficiently using the DFT.

Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as chemistry, physics, material, biology, and pharmacy. DFT has long been used to complement experimental investigations, while now it is also regarded as an indispensable and powerful tool for researchers of different fields. This book is divided into five sections that include original chapters written by experts in their fields: "Method Development and Validation," "Spectra and Thermodynamics," "Catalysis and Mechanism," "Material and Molecular Design," and "Multidisciplinary Integration." I would like to express my sincere gratitude to all contributors and recommend this book to both beginners and experienced researchers.

Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.