Total, elastic, and inelastic cross sections for positron and electron collisions with tetrahydrofuran.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2013-02-21 DOI:10.1063/1.4789584
Luca Chiari, Emma Anderson, Wade Tattersall, J R Machacek, Prasanga Palihawadana, Casten Makochekanwa, James P Sullivan, Gustavo García, Francisco Blanco, R P McEachran, M J Brunger, Stephen J Buckman
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引用次数: 49

Abstract

We present total, elastic, and inelastic cross sections for positron and electron scattering from tetrahydrofuran (THF) in the energy range between 1 and 5000 eV. Total cross sections (TCS), positronium formation cross sections, the summed inelastic integral cross sections (ICS) for electronic excitations and direct ionization, as well as elastic differential cross sections (DCS) at selected incident energies, have been measured for positron collisions with THF. The positron beam used to carry out these experiments had an energy resolution in the range 40-100 meV (full-width at half-maximum). We also present TCS results for positron and electron scattering from THF computed within the independent atom model using the screening corrected additivity rule approach. In addition, we calculated positron-impact elastic DCS and the sum over all inelastic ICS (except rotations and vibrations). While our integral and differential positron cross sections are the first of their kind, we compare our TCS with previous literature values for this species. We also provide a comparison between positron and electron-impact cross sections, in order to uncover any differences or similarities in the scattering dynamics with these two different projectiles.

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正电子和电子与四氢呋喃碰撞的总、弹性和非弹性截面。
我们给出了四氢呋喃(THF)在1到5000 eV能量范围内正电子和电子散射的总、弹性和非弹性截面。测量了正电子与THF碰撞的总截面(TCS)、正电子形成截面、电子激发和直接电离的非弹性积分截面(ICS),以及在选定入射能量下的弹性微分截面(DCS)。用于进行这些实验的正电子束的能量分辨率在40-100 meV(全宽半最大值)范围内。我们还提出了使用筛选校正的可加性规则方法在独立原子模型中计算THF的正电子和电子散射的TCS结果。此外,我们计算了正电子冲击弹性DCS和所有非弹性ICS(除了旋转和振动)的总和。虽然我们的积分和微分正电子横截面是同类中的第一个,但我们将我们的TCS与先前的文献值进行了比较。我们还提供了正电子和电子碰撞截面的比较,以揭示这两种不同弹丸散射动力学的差异或相似之处。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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