The linear combination of atomic orbitals approach to the calculation of the molecular continuum spectrum with B-spline basis functions has been applied to the calculation of the first-order nondipolar corrections to the photoelectron angular distributions from carbon tetrafluoride. Dipolar and nondipolar asymmetry parameter profiles have been calculated for every single-particle orbital ionization. A comparison with the available experimental data gives good agreement for the dipolar asymmetry parameter. Nondipolar asymmetry parameters are affected by the presence of resonant processes in the dipolar channels. In the absence of experimental data, the good agreement of the computed dipolar parameters with experimental data makes one confident of the predictive quality of the theoretical results.
Nondipolar effects in the photoionization dynamics of carbon tetrafluoride
Decleva P
2008
Abstract
The linear combination of atomic orbitals approach to the calculation of the molecular continuum spectrum with B-spline basis functions has been applied to the calculation of the first-order nondipolar corrections to the photoelectron angular distributions from carbon tetrafluoride. Dipolar and nondipolar asymmetry parameter profiles have been calculated for every single-particle orbital ionization. A comparison with the available experimental data gives good agreement for the dipolar asymmetry parameter. Nondipolar asymmetry parameters are affected by the presence of resonant processes in the dipolar channels. In the absence of experimental data, the good agreement of the computed dipolar parameters with experimental data makes one confident of the predictive quality of the theoretical results.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
