Bettega M H F, Lima M A P
Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná, Brazil.
J Chem Phys. 2007 May 21;126(19):194317. doi: 10.1063/1.2739514.
The authors report integral, differential and momentum transfer cross sections for elastic scattering of low-energy electrons by C(4)H(4)O (furan) molecules. Their calculations employed the Schwinger multichannel method with pseudopotentials and were performed in the static-exchange and in the static-exchange plus polarization approximations. The authors found two shape resonances located around 2.1 and 4.2 eV that belong to the B(1) and A(2) symmetries of the C(2v) group, respectively. The authors' results are consistent with recent measurements of vertical electron attachment energies.
作者报告了低能电子与C(4)H(4)O（呋喃）分子弹性散射的积分、微分和动量转移截面。他们的计算采用了带有赝势的施温格多通道方法，并在静态交换和静态交换加极化近似下进行。作者发现了两个形状共振，分别位于2.1和4.2 eV左右，分别属于C(2v)群的B(1)和A(2)对称性。作者的结果与最近垂直电子附着能的测量结果一致。
