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Type: Artigo de periódico
Title: Effective configurations in electron-molecule scattering
Author: Azevedo, DL
da Silva, AJR
Lima, MAP
Abstract: We present a more efficient way of treating polarization effects in the scattering of low-energy electrons by molecules within the Schwinger multichannel (SMC) method. We propose to expand the scattering wave function in a set of functions of N + 1 electrons that describe the scattering in an effective way, which allows the use of a small number of functions to describe the polarization effects. As a first test, we apply the method to the scattering of electrons by the H-2 molecule. We calculate elastic integral and differential cross sections, and we obtain excellent results with a reduction in the number of configurations of up to 98% when compared to the traditional method used in the SMC method. This is a substantial size reduction of all matrices involved in the SMC method and, as a consequence, it represents a promising technique for treating more complex molecular systems.
Country: EUA
Editor: American Physical Soc
Citation: Physical Review A. American Physical Soc, v. 61, n. 4, 2000.
Rights: aberto
Date Issue: 2000
Appears in Collections:Unicamp - Artigos e Outros Documentos

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