Calculation of dissociative attachment of electrons to diatomic molecules by the Schwinger-Lanczos approach

Article

Calculation of dissociative attachment of electrons to diatomic molecules by the Schwinger-Lanczos approach

Horáček, J.; Gemperle, F.; Meyer, H.-D.

J. Chem. Phys. 104(0), 8433-8441 (1996)

Abstract

Numerical studies of resonant scattering of electrons by diatomic molecules with full account of the nonlocal level shift and resonance width operators are carried out with emphasis on the various approximations of the nonlocal potentials. The Schwinger-Lanczos approach proposed recently by Meyer, Horáček and Cederbaum [Phys. Rev. A 43, 3587 (1991)] is applied and its performance is investigated. The efficiency of the method is further improved by introducing a new local complex potential. Very accurate values of the dissociative attachment cross sections for a d-wave resonance model are reported.

Institute authors

Horáček, Jiří

BibTeX

@article{UTF210,
  author        = {Horáček, J. and Gemperle, F. and Meyer, H.-D.},
  title         = {{Calculation of dissociative attachment of electrons to diatomic molecules by the Schwinger-Lanczos approach}},
  journal       = {J. Chem. Phys.},
  volume        = {104},
  number        = {0},
  pages         = {8433-8441},
  year          = {1996},
  doi           = {10.1063/1.471593},
  url           = {http://link.aip.org/link/?JCPSA6/104/8433/1},
}