Study of electron scattering by N2O using the polyatomic R-matrix method

被引:58
作者
Sarpal, BK [1 ]
Pfingst, K [1 ]
Nestmann, BM [1 ]
Peyerimhoff, SD [1 ]
机构
[1] INST THEORET & PHYS CHEM,D-53115 BONN,GERMANY
关键词
D O I
10.1088/0953-4075/29/4/023
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We present results of ab initio calculations for electron-N2O scattering using the polyatomic R-matrix method. We consider scattering energies from 0 to 20 eV. Our calculations demonstrate that the low-energy shape resonance just above 2 eV is due to a (2) Pi state of the negative ion. A broad 2 Sigma resonance is also found at higher energy (similar to 8 eV). Calculations are reported for static exchange, static exchange with polarization, and correlated wavefunction levels of approximation. Our calculations are the first to use highly correlated wavefunctions in R-matrix calculations for polyatomic targets, where such a treatment is necessary to get an accurate description of the resonant scattering process. The calculated integral elastic scattering cross section is found to be in good agreement with experimental results.
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收藏
页码:857 / 873
页数:17
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