bookJun 30, 2019GREEN OA

Time-Dependent Density-Functional Theory: Concepts and Applications

Abstract

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 s

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Topics & keywords

Keywords
  • Time-dependent density functional theory
  • Density functional theory
  • Physics
  • Density matrix
  • Excited state
  • Scalar (mathematics)
  • Quantum mechanics
  • Wave function
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