Electronic Density Functional Theory [EBook] : Recent Progress and New Directions / edited by John F. Dobson, Giovanni Vignale, Mukunda P. Das.
Electronic Density Functional Theory [EBook] : 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...
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: 
10.1007/9781489903167 
Subject (LOC):  
Full Text 
Table of Contents:
 I. Introductory Material
 Brief Introduction to Density Functional Theory
 Digging into the ExchangeCorrelation Energy: The ExchangeCorrelation Hole
 Driving out the SelfInteraction Error
 TimeDependent 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 HighDensity Limit from Adiabatic Connection Perturbation Theory
 Calculating Electronic Energies from KohnSham Effective Potentials
 A CorrelationEnergy Functional for Addition to the HartreeFock Energy
 Relativistic Corrections to the ExchangeCorrelation Energy Functional
 III. Invited Chapters on Excited States, TimeDependent DFT and the Van der Waals Interaction
 Are Unoccupied KohnSham Eigenvalues Related to Excitation Energies?
 TimeDependent Optimized Effective Potential in the Linear Response Regime
 CurrentDensity Functional Theory of Linear Response to TimeDependent Electromagnetic Fields
 Effective Action in Density Functional Theory and the Berry Phase
 Hydrodynamics in the ThomasFermiDiracvonWeizsäcker Approximation
 Van der Waals Interactions in Density Functional Theory
 Van der Waals Functionals via Local Approximations for Susceptibilities
 BoundFree 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 SelfInteraction 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 SuperPhenomena 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.