화학공학소재연구정보센터
Journal of Chemical Physics, Vol.118, No.9, 4013-4024, 2003
Trapped metastable anions in low-energy electron scattering from C-20 clusters
Calculations are reported on scattering resonances in low-energy electron collisions with the fullerene carbon cluster C-20. The quantum treatment of the scattering process is carried out using a single-center expansion of the total (bound + scattering electronic) wave function and with the electron-molecule interaction represented by a set of adiabatic multipolar effective potential curves. All resonant wave functions with scattering energies less than 20 eV are analyzed. In some of the resonant states the scattered electron density is seen to remain partly trapped inside carbon cage, although in all cases the resonant, continuum orbital density in the anionic state is primarily distributed near the surface of the cluster cage. (C) 2003 American Institute of Physics.