Electron and positron impact differential cross sections for the (e,2e) process on water molecule

IF 1.8 4区 物理与天体物理 Q2 SPECTROSCOPY Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-01-01 DOI:10.1016/j.elspec.2024.147418
B. Mandal, M. Mondal, D. Jana, T. Mistry, A. Haque, M. Purkait
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Abstract

We present a theoretical study for electron and positron-impact ionization of water molecule by using the three-body formalism of distorted-wave approximation. In this approximation, the final state contains one-Coulomb, two-Coulomb, and three-Coulomb distortion due to pairwise Coulombic interactions, respectively. In the entrance channel, the initial state is a product of two wavefunctions: the first one for the incident electron/positron described by a Coulomb wave and the second one for the ten bound electrons. The molecular wavefunction for these bound electrons of H2O are described by the linear combination of atomic orbitals. We investigate the angular distribution of the triple differential cross section (TDCS) for single ionization of the outer orbitals 1b1,3a1,1b2, and 2a1. The structure with two peaks around the binary and recoil region are clearly observed for 1b1, 3a1, and 1b2 orbitals. At the same time, a single peak in the binary region with no recoil peak is found for the 2a1 orbital. The present TDCS results are compared with available experimental and theoretical findings. Fair agreement regarding the structure of angular profile of the TDCS is observed for all orbitals except 2a1. Finally, an enhanced TDCS have been found for positron impact compared to the electron impact.

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水分子上(e,2e)过程的电子和正电子撞击差分截面
我们利用扭曲波近似的三体形式对水分子的电子和正电子撞击电离进行了理论研究。在该近似中,由于成对库仑相互作用,最终状态分别包含一库仑、二库仑和三库仑畸变。在入口通道中,初始态是两个波函数的乘积:第一个是入射电子/正电子的波函数,由库仑波描述;第二个是十个束缚电子的波函数。H2O 这些束缚电子的分子波函数由原子轨道的线性组合描述。我们研究了外层轨道 1b1、3a1、1b2 和 2a1 单电离三重微分截面 (TDCS) 的角度分布。在 1b1、3a1 和 1b2 轨道上可以清楚地观察到二元区和反冲区周围有两个峰值的结构。同时,2a1 轨道在二元区域发现了一个单峰,没有反冲峰。本 TDCS 结果与现有的实验和理论发现进行了比较。除 2a1 外,所有轨道的 TDCS 角轮廓结构都相当一致。最后,与电子撞击相比,正电子撞击的 TDCS 有所增强。
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来源期刊
CiteScore
3.30
自引率
5.30%
发文量
64
审稿时长
60 days
期刊介绍: The Journal of Electron Spectroscopy and Related Phenomena publishes experimental, theoretical and applied work in the field of electron spectroscopy and electronic structure, involving techniques which use high energy photons (>10 eV) or electrons as probes or detected particles in the investigation.
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