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

Article

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

Tarana, M.; Horáček, J.

J. Chem. Phys. 127(0), 4319-+ (2007)

Abstract

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 2?u 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 2?u 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.

Keywords

electron attachment, electron correlations, electron impact dissociation, fluorine, matrix algebra, molecule-electron collisions, rotational-vibrational energy transfer

Institute authors

Horáček, Jiří

Supported by

GAUK 257718/2007 — Aplikácia teórie R-matice a nelokálnych modelov rezonancie v zrážkach elektrónov s molekulami
LC06014 — Centrum teoretické astrofyziky

BibTeX

@article{UTF101,
  author        = {Tarana, M. and Horáček, J.},
  title         = {{Correlation effects in R-matrix calculations of electron-F\_\{2\} elastic scattering cross sections}},
  journal       = {J. Chem. Phys.},
  volume        = {127},
  number        = {0},
  pages         = {4319-+},
  year          = {2007},
  doi           = {10.1063/1.2789430},
  url           = {http://link.aip.org/link/?JCPSA6/127/154319/1},
}