Electronic Density Functional Theory [E-Book] : Recent Progress and New Directions / edited by John F. Dobson, Giovanni Vignale, Mukunda P. Das.
Das, Mukunda P., (editor)
Dobson, John F., (editor) / Vignale, Giovanni, (editor)
Boston, MA : Springer, 1998
X, 396 p. online resource.
englisch
9781489903167
10.1007/978-1-4899-0316-7
Full Text
Table of Contents:
  • I. Introductory Material
  • Brief Introduction to Density Functional Theory
  • Digging into the Exchange-Correlation Energy: The Exchange-Correlation Hole
  • Driving out the Self-Interaction Error
  • Time-Dependent Density Functional Theory
  • II. Invited Chapters on Groundstate Energy Functionals
  • Mixing Exact Exchange with GGA: When to Say When
  • Adiabatic Coupling in the Helium and the Beryllium Series
  • Derivation of a Generalized Gradient Approximation: The PW91 Density Functional
  • Correlation Energy in a High-Density Limit from Adiabatic Connection Perturbation Theory
  • Calculating Electronic Energies from Kohn-Sham Effective Potentials
  • A Correlation-Energy Functional for Addition to the Hartree-Fock Energy
  • Relativistic Corrections to the Exchange-Correlation Energy Functional
  • III. Invited Chapters on Excited States, Time-Dependent DFT and the Van der Waals Interaction
  • Are Unoccupied Kohn-Sham Eigenvalues Related to Excitation Energies?
  • Time-Dependent Optimized Effective Potential in the Linear Response Regime
  • Current-Density Functional Theory of Linear Response to Time-Dependent Electromagnetic Fields
  • Effective Action in Density Functional Theory and the Berry Phase
  • Hydrodynamics in the Thomas-Fermi-Dirac-von-Weizsäcker Approximation
  • Van der Waals Interactions in Density Functional Theory
  • Van der Waals Functionals via Local Approximations for Susceptibilities
  • Bound-Free Correlation Potentials for Scattering Theory
  • IV. Invited Chapters on Special Systems
  • Edge Electronic Structure: The Airy Gas
  • Density Functionals for Energies and Eigenvalues: Local Mass Approximation
  • Ensemble Density Functional Theory for Inhomogeneous Fractional Quantum Hall Systems
  • Applications of Self-Interaction Corrections to Localized States in Solids
  • Density Functional Calculations for Molecules and Clusters — Lin, LinO, Cn
  • A Functional Theory of Interacting Local Spins, Spin Polarized Electrons, and Ions: Half Metallic Magnets
  • Density Functional Theory of Super-Phenomena in Condensed Systems
  • V. Abstracts of Poster Presentations
  • Ab Initio Calculations of Magnetic Interactions in Magnetic Metal Alloys via the LSDF Approach
  • UNICHEM and Electron Momentum Spectroscopy Investigations into the Valence Electronic Structure of trans 1,3 Butadiene
  • Van der Waals Interactions in Density Functional Theory
  • Quantitative Electron Momentum Spectroscopy of Solids
  • Participants.