Accuracy of local exchange in the calculation of continuum wavefunctions
Accuracy of local exchange in the calculation of continuum wavefunctions
复制标题
连续波函数计算中局部交换的精度
DOI：
10.1088/0953-4075/35/24/313
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发表时间：
2002
期刊：
影响因子：
--
通讯作者：
D. Madison
中科院分区：
文献类型：
--
作者：
D. Biava;K. Bartschat;H. Saha;D. Madison
众所周知，电子交换在原子和分子的电子碰撞弹性、非弹性和电离散射中起着重要的作用。对交换进行适当的理论处理，可以得到一个带有非局域交换算子的非齐次微分方程。为了简化计算，通常对该非局部算子进行局部近似。在这篇文章中，我们考察了在p壳层中含有单个空位的Ar离子存在的情况下，该近似计算弹性散射连续波的精度。结果表明，对于导致S态空位而不是p态空位的电离，人们可以可靠地使用局域交换近似。
It is well known that electron exchange can play an important role in electron-impact elastic, inelastic and ionization scattering from atoms and molecules. The proper theoretical treatment of exchange yields an inhomogeneous differential equation with a non-local exchange operator. To simplify the calculation, a local approximation is often made for this non-local operator. In this paper, we examine the accuracy of this approximation for the calculation of elastic scattering continuum waves in the presence of an argon ion with a single vacancy in the p-shell. It is found that one can reliably use the local exchange approximation for ionization leading to s-state vacancies but not p-state vacancies.