0000000000714059
AUTHOR
E. Mayor
showing 2 related works from this author
Excitation energies and photoabsorption oscillator strengths of the Rydberg series in CF3Cl. A linear response and quantum defect study.
2007
Vertical excitation energies of the CF(3)Cl molecule have been obtained from a response function approach with a CC reference function to determine absolute photoabsorption oscillator strengths in the molecular-adapted quantum defect orbital formalism (MQDO). The present work covers more highly excited Rydberg states than have been experimentally reported. Assessing of the reliability of the present calculations is provided through a comparative analysis between the results of the molecule and the Cl atom. This can be used to allow for predictions of the same type of properties in other analogous systems.
MQDO theoretical study of the C1Π–X1Σ+ band system of HCl
2008
Abstract Oscillator strengths for P, Q and R rotational lines belonging to the (0, v ″ = 0, 1) and (1, v ″ = 0, 1) bands for the C 1 Π–X 1 Σ + system of HCl have been theoretically studied. The calculations have been performed by following the molecular quantum defect orbital methodology, which has earlier proved to yield accurate intensities for transitions involving Rydberg states in a variety of molecular species. The results appear to be in good accord with the available experimental values. Predictions of a number of unknown intensities have also been made. We expect that the present data might be of help in the interpretation of future experimental measurements.