A K-matrix technique using a basis set of square-integrable functions is applied to the calculation of differential photoionization cross sections in molecules. Continuum orbitals are variationally determined in the static-exchange approximation of the ion field. Integrated photoionization cross sections and asymmetry parameters ? of the three main valence ionization processes in H2O are calculated, in the independent channel approximation, for the photon energy in the range of 14-50 eV and compared with the available experimental data.
MOLECULAR PHOTOIONIZATION CROSS-SECTIONS AND ASYMMETRY PARAMETERS BY L2 BASIS FUNCTIONS CALCULATIONS - H2O
CARRAVETTA V;
1986
Abstract
A K-matrix technique using a basis set of square-integrable functions is applied to the calculation of differential photoionization cross sections in molecules. Continuum orbitals are variationally determined in the static-exchange approximation of the ion field. Integrated photoionization cross sections and asymmetry parameters ? of the three main valence ionization processes in H2O are calculated, in the independent channel approximation, for the photon energy in the range of 14-50 eV and compared with the available experimental data.File in questo prodotto:
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