Palestrante: Romarly Costa (UFABC)
Título: Electron-molecule scattering dynamics under the influence of
multichannel coupling effects
Resumo:
The theoretical description of electron-molecule collisions is a
many-body problem that needs to be approximated in a realistic way so
that one can be able to provide reliable results to be compared against
existing experimental data. The dynamics in electron-molecule collisions
is strongly affected by the inclusion (and a balanced treatment) of
exchange, polarization and multichannel coupling effects. In this talk I
will focus on analyzing the influence that the effects of channel
coupling have upon the magnitude of elastic and electronically inelastic
cross section results. According to our experience, an accurate
description of the excited states of the target and the use of suitable
strategies to construct the open-channel space (number and type of
states that become energetically accessible to the molecular target
during the collision process) represent crucial steps in the definition
of the level of channel coupling to be used in the scattering
calculations. These findings will be illustrated by recent applications
involving the description of electron scattering by phenol, ethylene and
thiophene molecules in which the multichannel coupling effect was
treated in a growing level of complexity.
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