Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
MO: Molekülphysik
MO 11: Theory: Structure and Dynamics
MO 11.7: Vortrag
Donnerstag, 5. April 2001, 17:15–17:30, H107
Hartree-Fock method for deformed many-electron system: calculation of the electronic structure of deformed metal clusters, confined atoms, and cluster fission. — •Andrey Lyalin2, Jean-Patrick Connerade1, Rachid Semaoune1, Sergey Semenov3, and Andrey Solovyov4 — 1Imperial College of London, The Blackett Lab., Prince Consort Road, London SW7 2BW, UK — 2Institute of Physics, St Petersburg State University, Ulianovskaja str.1, St Petersburg, Petrodvorez 198904, Russia — 3State University of Aerospace Instrumentation, St.Petersburg 190000, Russia — 4A.F.Ioffe Physical-Technical Institute, St. Petersburg 194021, Russia
The Hartree-Fock method is developed for deformed many-electron system, such as a deformed metal clusters and atoms confined inside a deformed environment [1]. This approach extends the spherical HF method by using the partial-wave expansion of the electron wave functions in spheroidal coordinates (ξ, η, φ).
We present the results of calculation of the electronic structure for a series of sodium clusters with the number of atoms N in a cluster ranging from 4 to 40 and use our method for the simulation of fission process of the doubly charged metal clusters.
We also apply our method to the hydrogen atom confined inside a deformed C60 molecule. This study is relevant to other trapping fullerene cages, like the egg-shaped C82, which are naturally not spherical.
1. A.Lyalin, S.Semenov, A.Solov’yov, N.Cherepkov and W.Greiner - - J.Phys. B: At. Mol. Opt. Phys. 33, 3653, (2000).