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AbstractAbstract
[en] Cross section calculations of low energy e- -molecule scattering have been limited to targets with few electrons. We show that the use of soft norm-conserving pseudopotentials in the target description and in the scattering calculations makes possible the study of the low-energy electron scattering by many-electron molecules. We present results for C F4, C Cl4, Si Cl4, Si Br4 and Si L4 with 42, 74, 82, 154, and 226 electrons respectively. The pseudopotentials replace the nucleus and the core electrons of each atom so that only the valence is described in a many-body framework. Our calculated cross sections are in good qualitative agreement wit experiment. Except for C F4, we show theoretical cross sections for these molecules for the first time. For the C F4 molecule our results are in excellent agreement with the theoretical data available in the literature [8], which is an all-electron calculation, and also with the experimental results [11]. (author)
Original Title
Espalhamento de eletrons de baixa energia por C F4, C Cl4, Si Cl4, Si Br4 e Si I4
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Source
1994; 50 p; 17 refs., 11 figs., 4 tabs.; Tese (M.Sc.)
Record Type
Miscellaneous
Literature Type
Thesis/Dissertation
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BROMIDES, BROMINE COMPOUNDS, CHLORIDES, CHLORINATED ALIPHATIC HYDROCARBONS, CHLORINE COMPOUNDS, COHERENT SCATTERING, COLLISIONS, DIFFRACTION, ELECTRON COLLISIONS, ELEMENTARY PARTICLES, ELEMENTS, FERMIONS, HALIDES, HALOGEN COMPOUNDS, HALOGENATED ALIPHATIC HYDROCARBONS, HALOGENS, IODIDES, IODINE COMPOUNDS, LEPTONS, MOLECULE COLLISIONS, NONMETALS, ORGANIC CHLORINE COMPOUNDS, ORGANIC COMPOUNDS, ORGANIC HALOGEN COMPOUNDS, SCATTERING, SEMIMETALS, SILICON COMPOUNDS, SILICON HALIDES
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