CALCULATION OF LOW-ENERGY ELASTIC CROSS-SECTIONS FOR ELECTRON-CF4 SCATTERING

被引:189
作者
GIANTURCO, FA
LUCCHESE, RR
SANNA, N
机构
[1] TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
[2] CTR SCI & IND APPLICAT SUPERCOMP,I-00185 ROME,ITALY
关键词
D O I
10.1063/1.467237
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new computational approach has been used to evaluate the rotationally summed, vibronically elastic integral cross sections from the scattering of slow electrons (energy ranging from 1.0 eV up to 40.0 eV) by tetrafluoromethane molecules in the gas phase. The various symmetry components have been analyzed using the exact static exchange approximation and also by including a nonempirical, model polarization potential employed before by our group. A comparison with earlier calculations and with existing experiments allows us to assign the symmetries of the shape resonances in the 5-30 eV energy region which are seen by experiments and are also shown by the present calculations.
引用
收藏
页码:6464 / 6471
页数:8
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