Density Functional Theory

ISBN-13: 9783540127215 / Angielski / Miękka / 1983 / 307 str.

C. Amador;M. P. Das;R. A. Donnelly

Opis

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Spis treści

The constrained search approach, mappings to external potentials, and virial-like theorems for electron-density and one-matrix energy-functional theories.- Density matrices, reduced density matrices, a geometric investigation of their properties, and applications to density functional theory.- Properties of one-matrix energy functionals.- Self-interaction correction.- Some recent developments in density functional theory.- Electron gas models and density functional theory.- Electron structure calculations for heavy atoms: A local density approach.- Density functionals obtained from models of the electron first and second order density matrices.- Free energy density functionals for non-uniform classical fluids.