Calculation of vibrational excitation of N2 by electron impact at 5-50 eV using extended-basis-set Hartree-Fock wavefunctions

Calculation of vibrational excitation of N2 by electron impact at 5-50 eV using extended-basis-set Hartree-Fock wavefunctions
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DOI:
10.1088/0022-3700/14/8/007
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发表时间:
1981-04
期刊:
Journal of Physics B
影响因子:
--
通讯作者:
J. Rumble;D. Truhlar;M. Morrison
J. Rumble;D. Truhlar;M. Morrison
中科院分区:
其他
文献类型:
--
作者:
J. Rumble;D. Truhlar;M. Morrison

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在静态交换极化模型中计算了N2在5,10,20,30和50 eV处的电子碰撞振动激发的截面0至0,0至1和1至2。计算基于Cade、Sales和Wahl(1966)的Hartree-Fock目标波函数,用于静态势和Hara(1967)的自由电子-气体交换势。靶电荷极化包括在莫里森和柯林斯(1978)的有效极化势中,极化率作为核间距的函数。计算的横截面相对于通道收敛得很好。结果清楚地显示了低能π g共振和中能σ u共振。
The cross sections 0 to 0, 0 to 1 and 1 to 2 for vibrational excitation of N2 by electron impact at 5, 10, 20, 30 and 50 eV are calculated in a static-exchange-polarisation model. The calculations are based on the Hartree-Fock target wavefunctions of Cade, Sales and Wahl (1966) for the static potential and for the Hara (1967) free-electron-gas exchange potential. Target charge polarisation is included by the effective polarisation potential of Morrison and Collins (1978), scaled as a function of internuclear distance by the polarisabilities. The calculated cross sections are well converged with respect to channels. The results show clearly both the low-energy Pi g resonance and the intermediate-energy Sigma u resonance.