Banca de DEFESA: MÔNICA CAROLINE LEMOS SANTOS

The influence of electronic correlation on the Elastic Scattering Process of Electrons by Linear Molecules and Nonlinear

Elastic Scattering Electron-Molecule; Dierential Cross Section; Schwinger's
Variational Iterative Method; Hartree-Fock-Roothaan; Configuration Interaction Method;
Non-linear Molecules.

In this work we deal with the inclusion of electronic correlation in the elastic scattering
of electrons by molecules using state functions determined with the Configuration Interaction
(CI) Method to describe the target. Using CI and Schwinger Variational Iterative
Method (SVIM) for the scattering of electrons by molecules, we determine the expressions
for the electron-molecule interaction potential in this new context, and we implement
them to obtain the dierential cross sections (Dierential Cross Sections-DCS) for the
elastic scattering of electrons in the energy range from 2 to 10 electron volts (eV) by
non-linear molecular targets (O3, SO2 and CH2N2) and in the energy range of 2 at 11.6
electron volts (eV) for linear molecular targets (OCS, C3 and HCN). Our results, compared
with experimental data and other theoretical results from the literature, show that we
were successful in extending the procedure with the CI Method for non-linear molecular
targets. And although the descriptions made with Hartree-Fock Roothaan (HFR) and CI
have generated similar results for the studied systems, the CI Method as implemented
by us proved to be a procedure that can be used to reproduce and analyse experimental
observations at lower energies, not only for electron scattering processes by linear but also
by non-linear molecule-targets.