Density Functional Theory
Kluwer Academic/Plenum Publishers (Verlag)
978-0-306-44905-5 (ISBN)
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.
Erscheint lt. Verlag | 31.3.1995 |
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Reihe/Serie | NATO Science Series: B ; 337 |
Zusatzinfo | 110 Illustrations, black and white; XIV, 676 p. 110 illus. |
Verlagsort | New York |
Sprache | englisch |
Maße | 170 x 250 mm |
Themenwelt | Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik |
ISBN-10 | 0-306-44905-6 / 0306449056 |
ISBN-13 | 978-0-306-44905-5 / 9780306449055 |
Zustand | Neuware |
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