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Distorted-wave calculation of cross sections for inner-shell ionization by electron and positron impact

机译:电子和正电子撞击的内壳电离截面的畸变波计算

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摘要

The relativistic distorted-wave Born approximation is used to calculate differential and total cross sections for inner shell ionization of neutral atoms by electron and positron impact. The target atom is described within the independent-electron approximation using the self-consistent Dirac-Fock-Slater potential. The distorting potential for the projectile is also set equal to the Dirac-Fock-Slater potential. For electrons, this guarantees orthogonality of all the orbitals involved and simplifies the calculation of exchange T-matrix elements. The interaction between the projectile and the target electrons is assumed to reduce to the instantaneous Coulomb interaction. The adopted numerical algorithm allows the calculation of differential and total cross sections for projectiles with kinetic energies ranging from the ionization threshold up to about ten times this value. Algorithm accuracy and stability are demonstrated by comparing differential cross sections calculated by our code with the distorting potential set to zero with equivalent results generated by a more robust code that uses the conventional plane-wave Born approximation. Sample calculation results are presented for ionization of K- and L-shells of various elements and compared with the available experimental data.
机译:相对论畸变波Born近似用于计算中性原子通过电子和正电子撞击而被内壳电离的微分截面和总截面。使用自洽Dirac-Fock-Slater势在独立电子逼近内描述目标原子。弹丸的变形电势也设置为等于狄拉克-福克-斯莱特电势。对于电子,这保证了所有涉及轨道的正交性,并简化了交换T矩阵元素的计算。假设弹丸与目标电子之间的相互作用减少到瞬时库仑相互作用。采用的数值算法允许计算动能的范围为电离阈值直至该值的十倍左右的弹丸的微分截面和总截面。通过将由我们的代码计算出的,将失真电势设置为零的差分横截面与使用常规平面波博恩近似的更鲁棒代码生成的等效结果进行比较,可以证明算法的准确性和稳定性。给出了各种元素的K和L壳电离的样品计算结果,并与可用的实验数据进行了比较。

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