Low-energy electron collisions with cubane

被引：2

作者：

Freitas, Thiago Correa ^{[1
]}

Moreira, Giseli Maria ^{[2
]}

Barbosa, Alessandra Souza ^{[2
]}

Franco Bettega, Marcio Henrique ^{[2
]}

机构：

[1] Univ Fed Parana, Setor Educ Profiss & Tecnol, BR-81520260 Curitiba, Parana, Brazil

[2] Univ Fed Parana, Dept Fis, BR-81531980 Curitiba, Parana, Brazil

来源：

EUROPEAN PHYSICAL JOURNAL D | 2022年 / 76卷 / 03期

关键词：

PSEUDOPOTENTIALS; SCATTERING; STATES;

D O I：

10.1140/epjd/s10053-022-00382-x

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We report a theoretical investigation on low-energy electron scattering by cubane (C8H8) molecules. Theoretical elastic differential, integral and momentum transfer cross sections are calculated at impact energies up to 20 eV. The calculations employed the Schwinger multichannel method implemented with norm-conserving pseudopotentials and were carried out in the static-exchange and static-exchange plus polarization approximations. Our results are compared with previous electron transmission spectroscopy data and integral cross sections obtained from a model potential calculation. Present calculations displayed three resonances, centered at 3.2, 6.6 and 11 eV, a Ramsauer-Townsend minimum at 0.16 eV, and the evidence of a virtual state. A set of differential elastic cross sections for electron-cubane collisions is presented here for the first time. Electronic structure calculations were performed in order to help with the interpretation of the low-energy resonance.

引用

页数：6

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