Title: Excitation of molecules by cold electrons Author: Miroslav Šulc Department / Institute: Institute of Theoretical Physics, Charles University in Prague Supervisor of the doctoral thesis: prof. RNDr. Jiří Horáček, DrSc., Institute of Theoretical Physics, Charles University Abstract: Several methods for low energy collisional processes are investigated. In the first part, attention is especially devoted to examination of applicability of the R-matrix method combined with the Schwinger-Lanczos (SL) variational principle for potential scattering with long-range forces. Next sections deal with the development of the interaction correlation-polarization (CP) potential in the framework of the Dis- crete Momentum Representation (DMR) method on the grounds of the Local Density Approximation in the Density Functional Theory (DFT) context. Obtained results are then utilized in body-frame (BF), static exchange + polarization (SEP), calcula- tions within an analysis of experimental data for e−-N2 scattering comprising a part of a larger project addressing theoretical examination of rotational excitations of small molecules in the gas phase induced by electron impact. For N2, a new phenomenon consisting in suppression of backward cross-section below 95 meV is observed and con- sequently attributed to...

This work aims at calculating the cross sections for vibrational excitation of the oxygen molecules by collisons with electrons. Potential energy curves are obtained with standard quantum chemistry methods and the R-matrix method with good agreement with measurable molecular properties, the cross sections are calculated within the local complex potential approximation. It was shown that the results obtained with different, but seemingly satisfactory settings can vary by a significant degree. Comparison with experimental data then point out the insufficiency of the local complex potential approximation. Powered by TCPDF (www.tcpdf.org)