ABINITIO MODEL-CALCULATIONS TO TREAT ELECTRON-SCATTERING FROM POLAR POLYATOMIC TARGETS - H2S AND NH3

被引:39
作者
GIANTURCO, FA
机构
[1] Department of Chemistry, The University of Rome, Città Universitaria, Rome
关键词
D O I
10.1088/0953-4075/24/21/014
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A parameter-free modelling of the exchange and correlation-polarization forces which play a fundamental role in describing the scattering of slow electrons from molecular targets is applied here to the calculation of total integral cross sections and differential cross sections for electron collisions with polyatomic targets: H2S and NH3. Several features of the results are discussed and analysed to try and shed more light on the physical details of the processes at hand. The present computation constitutes one of the first examples of such an analysis for the systems and appears to provide, among other things, much original information on the possible existence of low-energy, metastable negative ions of NH3 and H2S in their ground electronic states.
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页码:4627 / 4648
页数:22
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