Correlation effects in R-matrix calculations of electron-F2 elastic scattering cross sections.
Correlation effects are studied in electron scattering off the fluorine molecule. Fixed-nuclei approximation R-matrix calculations of the elastic collision cross sections are presented for a set of internuclear distances at three levels of correlation. The aim of this work is to study the role of electronic correlation on the properties of the 2Sigmau resonance. The Feshbach-Fano R-matrix method of resonance-background separation is used to study the effect of inclusion of various levels of correlation on the energy and width of the 2Sigmau resonance. Data required for construction of the nonlocal resonance model (construction of a discrete state and its coupling to the continuum) which allows the calculation of inelastic processes such as dissociative electron attachment and vibrational excitation [W. Domcke, Phys. Rep. 208, 97 (1991)] including the correlation are presented.
Tarana
Michal
M
Institute of Theoretical Physics, Charles University in Prague, V Holesovickách 2, CZ-180 00 Prague, Czech Republic. tarana@mbox.troja.mff.cuni.cz
Horácek
Jirí
J