Berlin 2001 – wissenschaftliches Programm

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A: Atomphysik

A 1: Posters Monday (Cluster, Atoms in Fields)

A 1.19: Poster

Montag, 2. April 2001, 12:30–15:00, AT3

Dynamics of Finite Multi-electron Systems in Density Functional Theory — •Miron Ya Amusia^1,2 and Vasily Shaginyan^1,3 — ¹Racah Institute of Physics, The Hebrew University, Jerusalem 91904, Israel — ²A. F. Ioffe Physical Technical Institute, St. Petersburg 194021, Russia — ³Petersburg Nuclear Physics Institute, Gatchina 188300, Russia

The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of atoms, molecules and clusters. Our version describes a systematic way to construct successive approximations to the exchange correlation functional. The developed DFT allows for calculations of both collective and single particle excitation spectra of any multi-electron system. The eigenvalues of the single-particle Kohn-Sham equations are related to the real single-particle spectra. If the exchange functional is treated rigorously while the correlation functional is taken in the local approximation, this connection becomes very simple. The spectra do not coincide either with with the eigenvalues of the Kohn-Sham equations or with with the ones of the Hartree-Fock equations.