Density Functional Theory

ISBN-13: 9780306449055 / Angielski / Twarda / 1995 / 676 str.

Gross; E. K. Gross; R. M. Dreizler

Opis

Proceedings of a NATO Advanced Study Institute held in Il Ciocco, Italy, August 1993, to provide a forum where reports on the progress made and on the problems still unsolved could be sampled. The 15 main lectures address fundamental aspects; atoms, molecules, and clusters; and plasmas, liquids, and

Spis treści

Overview of Density Functional Theory.- Coordinate Scaling Requirements for Approximating Exchange and Correlation.- Energy Functionals: Gradient Expansions and Beyond.- Density Gradient Expansion of the Electronic Exchange-Correlation Energy, and its Generalization.- Density Functional Aspects of Relativistic Field Theories.- Excited States and Electron-Atom Scattering.- Density Functional Theory of Time-Dependent Systems.- Density Functional Formalism in Relativistic Nuclear Mean Field Theory.- Recent Developments in Kohn-Sham Theory for Orbital Dependent Exchange-Correlation Energy Functionals.- Physical Interpretation of Electron Correlation in the Local-Density Approximation.- Topology of Electron Density and Open Quantum Systems.- Molecules and Molecular Dynamics.- Applications of Density Functional Theory in Chemistry.- Simple Views of Metallic Clusters.- Charge Sensitivity Analysis as Diagnostic Tool for Predicting Trends in Chemical Reactivity.- Metallic Surfaces and Density Functional Theory.- Density Functional Theory of the Superconducting State.- Fluctuations in Density Functional Theory: Random Metallic Alloys and Itinerant Paramagnets.- Current Density Functional Theory and Orbital Magnetism.- Valence Density Functionals.- Local Density Functional and Strong On-Site Correlations: The Electronic Structure of La2CuO4.- Mixed-Basis Scheme for DFT Calculations.- Energetics of Solid Surfaces: Clusters and Anticlusters, Generalized Liquid-Drop Model, Energy Density, Stress Field, and Rigorous Theorems.- Inhomogeneous Fluids and the Freezing Transition.- Density Functional Methods for Plasmas and Liquid Metals.- Density Functional Approach to Vortex Matter.- Participants.