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Experimental and theoretical analysis for total electron scattering cross sections of benzene

机译:苯全电子散射截面的实验与理论分析

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摘要

Measurements of the total electron scattering cross sections (TCSs) from benzene, in the impact energy range of 1-1000 eV, are presented here by combining two different experimental systems. The first utilizes a magnetically confined electron transmission beam for the lower energies (1-300 eV), while the second utilizes a linear transmission beam apparatus for the higher energies (100-1000 eV). These cross sections have also been calculated by means of two different theoretical methods, the Schwinger Multichannel with Pseudo Potential (SMCPP) procedure, employing two different approaches to account for the polarization of the target for impact energies between 0.1 and 15 eV, and the Independent Atom Model with the Screening Corrected Additivity Rule including Interference effect (IAM-SCAR+I) paradigm to cover the 10-10 000 eV impact energy range. The present results are compared with available theoretical and experimental data, with the level of accord being good in some cases and less satisfactory in others, and some predicted resonances have been identified. In particular, we found a pi* shape resonance at 1.4 eV and another feature in the energy region 4.6-4.9 eV interpreted as a pi* resonance (B-2(2g) symmetry), which is a mixture of shape and a core excited resonance, as well as a Feshbach resonance at 5.87 eV associated with the 3s (a(1g)) Rydberg state. A Born-type formula to extrapolate TCS values for energies above 10 000 eV is also given. This study provides a complete set of TCS data, with uncertainty limits within 10%, ready to be used for modeling electron transport applications. Published under license by AIP Publishing.
机译:通过组合两种不同的实验系统,在这里介绍来自苯的总电子散射横截面(TCS)的测量,在1-1000eV的冲击能量范围内。首先利用用于较低的能量(1-300eV)的磁带电子传输梁,而第二次利用用于更高能量的线性传输光束装置(100-1000eV)。这些横截面也通过两种不同的理论方法计算,施韦格多道,具有伪电位(SMCPP)程序,采用两种不同的方法来解释目标的偏振,用于影响0.1和15eV之间的冲击能量,以及独立的方法具有筛选校正添加剂规则的原子模型,包括干扰效果(IAM-SUSP + I)范式,以覆盖10-10 000 EV冲击能量范围。将目前的结果与可用的理论和实验数据进行比较,在某些情况下,在某些情况下良好的效果良好,并在其他情况下较少,并且已经确定了一些预测的共振。特别地,我们发现在1.4eV处的PI *形状共振,并且能量区域中的另一个特征在4.6-4.9eV中解释为PI *谐振(B-2(2G)对称),这是一种形状和核心的混合物共振,以及与3S(A(1G))Rydberg状态相关的5.87eV的Feshbach共振。还给出了出生类型的公式,用于推断出高于10 000eV的能量的TCS值。本研究提供了一套完整的TCS数据,在10%之内不确定性限制,可用于建模电子传输应用。通过AIP发布在许可证下发布。

著录项

  • 来源
    《The Journal of Chemical Physics》 |2019年第8期|共12页
  • 作者单位

    CSIC Inst Fis Fundamental Serrano 113 Bis Madrid 28006 Spain;

    CSIC Inst Fis Fundamental Serrano 113 Bis Madrid 28006 Spain;

    CSIC Inst Fis Fundamental Serrano 113 Bis Madrid 28006 Spain;

    Univ Complutense Madrid Dept Estruct Mat Fis Term &

    Elect Plaza Ciencias 1 E-28040 Madrid Spain;

    Ctr Invest Energet Medioambientales &

    Tecnol CIEM Dept Tecnol Ave Complutense 22 Madrid 28040 Spain;

    Ctr Invest Energet Medioambientales &

    Tecnol CIEM Dept Tecnol Ave Complutense 22 Madrid 28040 Spain;

    Univ Fed Parana Dept Fis CP 19044 BR-81531990 Curitiba Parana Brazil;

    Univ Fed Parana Dept Fis CP 19044 BR-81531990 Curitiba Parana Brazil;

    Univ NOVA Lisboa Dept Fis CEFITEC Lab Colisoes Atom Mol P-2829516 Caparica Portugal;

    Univ NOVA Lisboa Dept Fis CEFITEC Lab Colisoes Atom Mol P-2829516 Caparica Portugal;

    James Cook Univ Coll Sci &

    Engn Townsville Qld Australia;

    Flinders Univ S Australia Coll Sci &

    Engn GPO Box 2100 Adelaide SA 5001 Australia;

    CSIC Inst Fis Fundamental Serrano 113 Bis Madrid 28006 Spain;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 物理化学(理论化学)、化学物理学;
  • 关键词

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