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Correlation effects in R-matrix calculations of electron-F_{2} elastic scattering cross sections

Tarana, M.; Horáček, J.

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 <SUP>2</SUP>?<SUB>u</SUB> 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 <SUP>2</SUP>?<SUB>u</SUB> 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.
type:article
journal:Journal of Chemical Physics
volume:127
nr:0
pages:4319-+
year:2007
link: http://link.aip.org/link/?JCPSA6/127/154319/1
grants:Aplikácia teórie R-matice a nelokálnych modelov rezonancie v zrážkach elektrónov s molekulami; 2007-2008; hlavní řešitel: Michal Tarana
Centrum teoretické astrofyziky, MŠMT ČR LC06014; 2005-2009; hlavní řešitel: Jiří Horáček
files:
horacek078.pdf (900.54 kB)

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