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BuchKartoniert, Paperback
676 Seiten
Englisch
Springererschienen am15.05.2013Softcover reprint of the original 1st ed. 1995
Applications in new fields, as for instance the structure of atomic clusters and the marriage of density functional theory with molecular dynamics and simulated annealing, have provided additional impetus to the field of density functional theory.mehr
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EUR406,59
BuchKartoniert, Paperback
EUR406,59

Produkt

KlappentextApplications in new fields, as for instance the structure of atomic clusters and the marriage of density functional theory with molecular dynamics and simulated annealing, have provided additional impetus to the field of density functional theory.
Details
ISBN/GTIN978-1-4757-9977-4
ProduktartBuch
EinbandartKartoniert, Paperback
Verlag
Erscheinungsjahr2013
Erscheinungsdatum15.05.2013
AuflageSoftcover reprint of the original 1st ed. 1995
ReiheNATO Science Series B:
Seiten676 Seiten
SpracheEnglisch
Gewicht1182 g
IllustrationenXIV, 676 p. 110 illus.
Artikel-Nr.30439483

Inhalt/Kritik

Inhaltsverzeichnis
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.mehr