ELECTRON-SCATTERING FROM ACETYLENE - ELASTIC INTEGRAL AND DIFFERENTIAL CROSS-SECTIONS AT LOW ENERGIES

被引:34
作者
GIANTURCO, FA [1 ]
STOECKLIN, T [1 ]
机构
[1] LAB PHYSICOCHEM THEOR,F-35400 TALENCE,FRANCE
关键词
D O I
10.1088/0953-4075/27/24/014
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Calculations have been carried out for the scattering of slow electrons from acetylene molecules in the gas phase, using the fixed-nuclei (FN) dynamical approximation and computing elastic cross sections only, integral and differential. Ab initio results at the exact static-exchange (ESE) level have been supplemented by a model local potential describing short-range and long-range polarization forces. The target wavefunction was obtained at the SCE level from a multicentre expansion over Gaussian orbitals (GTOs). Both the static and exchange interactions, V-st and V-ex, were obtained from a discrete basis by using multicentre orbitals and the separable exchange approximation. The final results are compared with available experiments and a detailed search for the 2.6 eV shape resonance is discussed. The very-low-energy computed cross sections also reveal the presence of a Ramsauer-Townsend (RT) minimum.
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收藏
页码:5903 / 5921
页数:19
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