Many-Electron Approaches in Physics, Chemistry and Mathematics

A Multidisciplinary View

Editors:

ISBN: 978-3-319-06378-2 (Print) 978-3-319-06379-9 (Online)

Table of contents (23 chapters)

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  1. Front Matter

    Pages i-ix

  2. Topics in Quantum Chemistry

    1. Front Matter

      Pages 1-1

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      Chapter

      Pages 3-29

      Relativistic Quantum Theory of Many-Electron Systems

    3. No Access

      Chapter

      Pages 31-52

      Spurious Modes in Dirac Calculations and How to Avoid Them

    4. No Access

      Chapter

      Pages 53-76

      Tensor Product Approximation (DMRG) and Coupled Cluster Method in Quantum Chemistry

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      Chapter

      Pages 77-96

      Quantum Cluster Equilibrium

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      Chapter

      Pages 97-110

      Linear Response Methods in Quantum Chemistry

  3. Topics in Density Functional Theory and Related Approaches

    1. Front Matter

      Pages 111-111

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      Chapter

      Pages 113-134

      Progress on New Approaches to Old Ideas: Orbital-Free Density Functionals

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      Chapter

      Pages 135-151

      Time-Dependent Density Functional Theory

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      Chapter

      Pages 153-168

      Density Functional Theory for Strongly-Interacting Electrons

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      Chapter

      Pages 169-189

      Towards the Computational Design of Compounds from First Principles

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      Chapter

      Pages 191-206

      Application of (Kohn–Sham) Density-Functional Theory to Real Materials

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      Chapter

      Pages 207-217

      The Quantum Energy Agrees with the Müller Energy up to Third Order

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      Chapter

      Pages 219-234

      Mathematical Aspects of Density Functionals and Density Matrix Functionals in Quantum Chemistry

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      Chapter

      Pages 235-242

      Some (Important?) Unsolved Mathematical Problems in Molecular Simulation

  4. Topics in Computer Science

    1. Front Matter

      Pages 243-243

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      Chapter

      Pages 245-260

      The Computational Complexity of Density Functional Theory

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      Chapter

      Pages 261-283

      Computational Techniques for Density Functional Based Molecular Dynamics Calculations in Plane-Wave and Localized Basis Sets

  5. Information Theory in Many-Electron Descriptions

    1. Front Matter

      Pages 285-285

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      Chapter

      Pages 287-300

      Towards the Information-Theoretic Construction of an Orbital-Free Kinetic-Energy Functional

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      Chapter

      Pages 301-318

      Lieb-Robinson Bounds and the Simulation of Time-Evolution of Local Observables in Lattice Systems

  6. Green Function-Based Approaches

    1. Front Matter

      Pages 319-319

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      Chapter

      Pages 321-341

      Electronic Structure Calculations with LDA \(+\) DMFT

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      Chapter

      Pages 343-357

      The GW Approximation for the Electronic Self-Energy

  7. Topics in Quantum Monte Carlo and Related Approaches

    1. Front Matter

      Pages 359-359

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      Chapter

      Pages 361-375

      Levy–Lieb Principle Meets Quantum Monte Carlo

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