Electronic Density Functional Theory [E-Book] : Recent Progress and New Directions / edited by John F. Dobson, Giovanni Vignale, Mukunda P. Das.
This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a g...
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Full text |
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Personal Name(s): | Das, Mukunda P., editor |
Dobson, John F., editor / Vignale, Giovanni, editor | |
Imprint: |
Boston, MA :
Springer,
1998
|
Physical Description: |
X, 396 p. online resource. |
Note: |
englisch |
ISBN: |
9781489903167 |
DOI: |
10.1007/978-1-4899-0316-7 |
Subject (LOC): |
- 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.