中低能量电子与乙腈的碰撞

IF 1.5 4区物理与天体物理 Q3 OPTICS

Journal of Physics B: Atomic, Molecular and Optical Physics Pub Date : 2023-08-25 DOI:10.1088/1361-6455/acf429

V. D. da Mata, M. M. Fujimoto, M. Homem

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引用次数: 0

摘要

对乙腈（CH3CN）对中低能量电子（E0=0.1–1000 eV eV）的弹性散射进行了系统的研究。我们使用吸收效应实现的ePolyScat-E3代码套件计算了0.1至1000eV能量范围内的微分（DCS）、积分（ICS）、动量传递（MTCS）和总吸收截面，该代码应用了Schwinger变分法和Padé-近似技术。此外，屏幕校正的独立原子模型用于计算10–1000 eV碰撞能量的DCSs、ICSs和MTCSs。将目前的结果与其他可用的理论和实验数据进行比较。总的来说，我们的DCS和MTCS结果与现有数据显示出良好的一致性，然而，ICSs和共振特征表现出相当的一致性。我们的结果显示了两种形状共振结构：一种在大约3.4eV处，另一种在约7eV处。它们被标记为π*和σ*，分别包括2E和2A1散射通道。

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Collisions of low- to intermediate-energy electrons with acetonitrile

A systematic investigation was carried out on the elastic scattering of low- to intermediate-energy electrons ( E0 = 0.1–1000 eV eV) by acetonitrile (CH3CN). We calculated differential (DCS), integral (ICS), momentum-transfer (MTCS), and total absorption cross sections from 0.1 to 1000 eV energy range using an absorption-effects-implemented ePolyScat-E3 suite of codes, which applies the Schwinger variational method combined with the Padé-approximants technique. Also, the screen-corrected independent atom model was used to compute DCSs, ICSs, and MTCSs from 10–1000 eV impact energies. Present results are compared to other theoretical and experimental data when available. In general, our DCS and MTCS results show a good agreement with available data, however, the ICSs and the resonance features exhibit fair accordance. Our results show two shape-resonance structures: one at about 3.4 eV and a second at about 7 eV. They are labeled as π∗ and σ∗ , and comprise the 2E and 2A1 scattering channels, respectively.

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来源期刊

Journal of Physics B: Atomic, Molecular and Optical Physics 物理-光学

CiteScore

3.60

自引率

6.20%

发文量

182

审稿时长

2.8 months

期刊介绍： Published twice-monthly (24 issues per year), Journal of Physics B: Atomic, Molecular and Optical Physics covers the study of atoms, ions, molecules and clusters, and their structure and interactions with particles, photons or fields. The journal also publishes articles dealing with those aspects of spectroscopy, quantum optics and non-linear optics, laser physics, astrophysics, plasma physics, chemical physics, optical cooling and trapping and other investigations where the objects of study are the elementary atomic, ionic or molecular properties of processes.