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Calculation of intermediate-energy electron-impact ionization of molecular hydrogen and nitrogen using the paraxial approximation

机译:使用近轴近似计算分子氢和氮的中能电子碰撞电离

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We have implemented the paraxial approximation followed by the time-dependent Hartree-Fock method with a frozen core for the single impact ionization of atoms and two-atomic molecules. It reduces the original scattering problem to the solution of a five-dimensional time-dependent Schrodinger equation. Using this method, we calculated the multifold differential cross section of the impact single ionization of the helium atom, the hydrogen molecule, and the nitrogen molecule from the impact of intermediate-energy electrons. Our results for He and H_2 are quite close to the experimental data. Surprisingly, for N_2 the agreement is good for the paraxial approximation combined with first Born approximation but worse for pure paraxial approximation, apparently because of the insufficiency of the frozen-core approximation.
机译:我们已经实现了近轴近似,然后采用了具有时间依赖的具有冻结核的时变Hartree-Fock方法,用于原子和两个原子分子的单次碰撞电离。它将原始的散射问题简化为一个五维时变Schrodinger方程的解。使用这种方法,我们从中能电子的影响中计算出了氦原子,氢分子和氮分子的碰撞单次电离的多重微分截面。我们对于He和H_2的结果与实验数据非常接近。出乎意料的是,对于N_2,该协议对于近轴近似与首次Born近似相结合是有利的,但对于纯近轴近似则较差,这显然是由于冻结核近似的不足。

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