One-particle resonances in low-energy electron scattering from C-60

Citation
Fa. Gianturco et Rr. Lucchese, One-particle resonances in low-energy electron scattering from C-60, J CHEM PHYS, 111(15), 1999, pp. 6769-6786
Citations number
27
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
15
Year of publication
1999
Pages
6769 - 6786
Database
ISI
SICI code
0021-9606(19991015)111:15<6769:ORILES>2.0.ZU;2-4
Abstract
The quantum dynamics of low-energy electron scattering from C-60 molecules is carried out using the full anisotropic interaction between the molecule at its equilibrium geometry and the impinging electron. The interaction is constructed using a nonempirical model potential for the short-range dynami cal correlation between the scattered electron and the bound electrons, whi le both the static interaction and the nonlocal exchange interaction are tr eated correctly. The fairly large size of the carbon cage, and the hollow s tructure which is created inside it, are unique features of the C-60 molecu le that are shown here to play a very important role in forming a broad var iety of metastable electron-attachment states without electronic excitation being involved. In spite of various aspects of the resonant process which are not considered in the present treatment, the calculations show very cle arly the occurrence of several trapping processes for the scattered electro ns which could be amenable to experimental observation. (C) 1999 American I nstitute of Physics. [S0021-9606(99)01338-0].