Volume 837 2012

Fundamentals of Time-Dependent Density Functional Theory

ISBN: 978-3-642-23517-7 (Print) 978-3-642-23518-4 (Online)

Table of contents (26 chapters)

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  1. Front Matter

    Pages i-xxxii

  2. Theory and Experiment – why we need TDDFT

    1. Front Matter

      Pages 1-1

    2. No Access

      Book Chapter

      Pages 3-14

      Short-Pulse Physics

    3. No Access

      Book Chapter

      Pages 15-28

      Spectroscopy in the Frequency Domain

    4. No Access

      Book Chapter

      Pages 29-50

      The Microscopic Description of a Macroscopic Experiment

  3. Basic theory

    1. Front Matter

      Pages 51-51

    2. No Access

      Book Chapter

      Pages 53-99

      Introduction to TDDFT

    3. No Access

      Book Chapter

      Pages 101-123

      Exact Conditions and Their Relevance in TDDFT

    4. No Access

      Book Chapter

      Pages 125-138

      Orbital Functionals

    5. No Access

      Book Chapter

      Pages 139-166

      Response Functions in TDDFT: Concepts and Implementation

    6. No Access

      Book Chapter

      Pages 167-184

      Memory: History , Initial-State Dependence , and Double-Excitations

  4. Advanced concepts

    1. Front Matter

      Pages 185-185

    2. No Access

      Book Chapter

      Pages 187-210

      Beyond the Runge–Gross Theorem

    3. No Access

      Book Chapter

      Pages 211-229

      Open Quantum Systems: Density Matrix Formalism and Applications

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      Book Chapter

      Pages 231-247

      Open Quantum Systems: A Stochastic Perspective

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      Book Chapter

      Pages 249-263

      Multicomponent Density-Functional Theory

    6. No Access

      Book Chapter

      Pages 265-276

      Quantum Optimal Control

  5. Real-time dynamics

    1. Front Matter

      Pages 277-277

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      Book Chapter

      Pages 279-299

      Non-Born–Oppenheimer Dynamics and Conical Intersections

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      Book Chapter

      Pages 301-315

      On the Combination of TDDFT with Molecular Dynamics: New Developments

    4. No Access

      Book Chapter

      Pages 317-336

      Excited-State Properties and Dynamics

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      Book Chapter

      Pages 337-350

      Electronic Transport

    6. No Access

      Book Chapter

      Pages 351-371

      Atoms and Molecules in Strong Laser Fields

  6. Numerical aspects

    1. Front Matter

      Pages 373-373

    2. No Access

      Book Chapter

      Pages 375-390

      The Liouville-Lanczos Approach to Time-Dependent Density-Functional (Perturbation) Theory

    3. No Access

      Book Chapter

      Pages 391-400

      The Projector Augmented Wave Method

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