Description: Time-Dependent Density-Functional Theory by Carsten A. Ullrich Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. Its widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT. FORMAT Paperback LANGUAGE English CONDITION Brand New Publisher Description Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost.This book is the first graduate-leveltext on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a self-contained review ofground-state DFT, followed by a detailed and pedagogical treatment of the formal framework of TDDFT. It is explained how excitation energies can be calculated from linear-response TDDFT. Among the more advanced topics are time-dependent current-density-functional theory, orbital functionals, and many-body theory. Many applications are discussed, including molecular excitations, ultrafast and strong-field phenomena, excitons in solids, van der Waals interactions, nanoscale transport, andmolecular dynamics. Author Biography Carsten A. Ullrich, Department of Physics and Astronomy, University of Missouri - Columbia. Table of Contents 1: Introduction2: Review of ground-state density-functional theory3: Fundamental existence theorems4: Time-dependent Kohn-Sham scheme5: Time-dependent observables6: Properties of the time-dependent xc potential7: The formal framework of linear-response TDDFT8: The frequency-dependent xc kernel9: Applications in atomic and molecular systems10: Time-dependent current-DFT11: Time-dependent optimized effective potential12: Extended systems13: TDDFT and many-body theory14: Long-range correlations and dispersion interactions15: Nanoscale transport and molecular junctions16: Strong-field phenomena and optimal control17: Nuclear motionA: Atomic unitsB: Functionals and functional derivativesC: Densities and density matricesD: Hartree-Fock and other wave-function approachesE: Constructing the xc potential from a given densityF: DFT for excited statesG: Systems with noncollinear spinH: The dipole approximationI: A brief review of classical fluid dynamicsJ: Constructing the scalar from the tensor xc kernelK: Semiconductor quantum wellsL: TDDFT in a Lagrangian frameM: Inversion of the dielectric matrixN: Review literature in DFT and many-body theoryO: TDDFT computer codes Review This is a very pedagogical introduction to the central ideas of time-dependent density-functional theory. The theory is described in depth and illustrated with many insightful examples and applications in atomic, molecular and condensed matter physics. This is a valuable book for both students and researchers. * Robert van Leeuwen, University of Jyväskylä * Long Description Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost.This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a self-contained review of ground-state DFT, followed by a detailed and pedagogical treatment of the formal framework of TDDFT. It is explained how excitation energies can be calculated from linear-response TDDFT. Among the more advanced topics are time-dependent current-density-functional theory, orbital functionals, and many-body theory. Many applications are discussed, including molecular excitations, ultrafast and strong-field phenomena, excitons in solids, van derWaals interactions, nanoscale transport, and molecular dynamics. Review Quote This is a very pedagogical introduction to the central ideas of time-dependent density-functional theory. The theory is described in depth and illustrated with many insightful examples and applications in atomic, molecular and condensed matter physics. This is a valuable book for both students and researchers. Feature First, comprehensive, self contained textbook in the field of TDDFT, written by a leader in the fieldThe book has a strong emphasis on a pedagogical treatment, with many examples and 125 exercisesSuitable as a textbook or companion book for graduate courses in electronic structure theory, theoretical spectroscopy, theoretical and computational chemistry, materials science and many other topicsThe book presents an overview of the state of the art of the field of TDDFT, with over 800 referencesMany additional resources are contained in the appendices, including a long list of review literature and available computer codes Details ISBN0198841930 Author Carsten A. Ullrich Pages 536 Series Oxford Graduate Texts Language English Year 2019 ISBN-10 0198841930 ISBN-13 9780198841937 Format Paperback Publisher Oxford University Press Publication Date 2019-05-14 Imprint Oxford University Press Subtitle Concepts and Applications Place of Publication Oxford Country of Publication United Kingdom DEWEY 541.28 Affiliation Department of Physics and Astronomy, University of Missouri - Columbia Short Title Time-Dependent Density-Functional Theory UK Release Date 2019-05-14 AU Release Date 2019-05-14 NZ Release Date 2019-05-14 Alternative 9780199563029 Audience Postgraduate, Research & Scholarly We've got this At The Nile, if you're looking for it, we've got it. With fast shipping, low prices, friendly service and well over a million items - you're bound to find what you want, at a price you'll love! TheNile_Item_ID:124879682;
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ISBN-13: 9780198841937
Book Title: Time-Dependent Density-Functional Theory
Item Height: 244 mm
Item Width: 164 mm
Author: Carsten A. Ullrich
Publication Name: Time-Dependent Density-Functional Theory: concepts and Applications
Format: Paperback
Language: English
Publisher: Oxford University Press
Subject: Chemistry, Physics
Publication Year: 2019
Type: Textbook
Item Weight: 908 g
Number of Pages: 536 Pages
