Resonant features in low-energy electron scattering from ozone

被引:4
作者
Curik, R
Gianturco, FA
Sanna, N
机构
[1] Univ Rome, Dept Chem, I-00185 Rome, Italy
[2] CASPUR, Supercomp Ctr Univ & Res, I-00185 Rome, Italy
关键词
D O I
10.1088/0953-4075/32/18/315
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Ab initio calculations are carried out for the quantum dynamics of low-energy electrons scattered elastically from O-3 molecules. The corresponding coupled equations are solved within a single-centre expansion approach and using exact static-exchange interaction. The effect of correlation-polarization forces is further included using a density functional modelling of such forces. The total elastic cross sections are compared with all the available calculations and measurements. Two low-energy shape resonances in the elastic channel are confirmed by the present calculations and their width, symmetry and position are discussed in terms of the influence on the resonance parameters of correlation effects which come both from the dynamical correlation within the (N + 1)-electron system and the static correlation of the N-electron target wavefunction.
引用
收藏
页码:4567 / 4580
页数:14
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