Berlin 2001 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
A: Atomphysik
A 1: Posters Monday (Cluster, Atoms in Fields)
A 1.17: Poster
Montag, 2. April 2001, 12:30–15:00, AT3
LDA MODEL FOR SPHERICAL JELLIUM CLUSTERS. — •Roman Polozkov1, Vadim Ivanov1, Galina Kashenock1, and Andrey Solovyov2 — 1St.Petersburg Technical University,St.Petersburg, Russia — 2A.F.Ioffe Physical-Technical Institute,St Petersburg, Russia
We present a self-consistent LDA (local density approximation) model for spherical jellium metal clusters and fullerenes. In this work we apply this model for the calculation of electron structure of the fullerenes C20 and C60.
The single-electron energy levels of the 240 electrons delocalised in the C60 molecule have been calculated. The energy level structure of the occupied outer electrons shells agrees with the experimental data and the results of calculations following from other theoretical models [1,2,3].
We have calculated the photoionization cross sections of C20 and C60 within the LDA and random phase approximation using the wavefunctions of the ground and excited states of the outer shell electrons obtained in our model. Our calculation demonstrates strong plasmon resonance enhancement of the photoionisation cross sections.
This work was supported by the INTAS and the Volkswagen Foundation.
[1] K. Yabana and G.F. Bertsch, Phys. Scripta 48, 633 (1993)
[2] J. Pacheco, W. Ekardt, Ann. Pkysik, 1, 254 (1992)
[3] G.F. Bertsch et al, Phys. Rev. Lett., 67, 1991 (1992)