ELECTRON-PHONON COUPLING IN CHARGED BUCKMINSTERFULLERENE

Citation
N. Breda et al., ELECTRON-PHONON COUPLING IN CHARGED BUCKMINSTERFULLERENE, Chemical physics letters, 286(3-4), 1998, pp. 350-354
Citations number
16
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
286
Issue
3-4
Year of publication
1998
Pages
350 - 354
Database
ISI
SICI code
0009-2614(1998)286:3-4<350:ECICB>2.0.ZU;2-T
Abstract
A simple, yet accurate solution of the electron-phonon coupling proble m in C-60 is presented. The basic idea behind it is to be found in the parametrization of the ground state electronic density of the system calculated making use of ab initio methods, in term of sp(2+x) hybridi zed orbitals. This parametrization allows for an economic determinatio n of the deformation potential associated with the fullerene's normal modes. The resulting electron-phonon coupling constants are used to ca lculate Jahn-Teller effects in C-60(-), and multiple satellite peaks i n the corresponding photoemission reaction. Theory provides an accurat e account of the experimental findings. (C) 1998 Published by Elsevier Science B.V.