Oscillator strengths and ionisation cross sections for the absorption of CF2Cl2 in the UV and VUV spectral regions. A MQDO study

摘要

Absorption oscillator strengths and photoionisation cross sections of CF2Cl2 have been calculated with the molecular-adapted quantum defect orbital (MQDO) approach. The differential oscillator strengths for the different Rydberg series that constitute the ionisation channels of CF2Cl2 from its ground state are reported. The MQDO differential oscillator strengths exhibit the expected continuity across the ionisation threshold. In addition, good agreement with experiment is found for the cross sections that correspond to the photoionisation from the (4b(1) + 4b(2)) valence MO's. (C) 2003 Elsevier Science B.V. All rights reserved. [References: 31]