Abstract
AbstractCalculations of intensities for E1 electronic transitions originating in the nonbonding orbitals of CO2 and ending in low‐Rydberg states, as well as the corresponding partial‐channel and total photoionization density of oscillator strength, have been performed with the molecular quantum defect orbital (MQDO) method. This article thus deals with both the nonbonding orbitals constituent of the outer valence shell and the atomic‐like K‐shell of CO2. A comparative analysis is made throughout the discrete and continuous spectral regions with the results of previously reported experimental and theoretical studies for this species. Good agreement is found in most cases. The MQDO approach in this and in previous applications to molecular Rydberg states has proved to yield results of quantitative quality as long as the involved states are not subject to strong perturbations. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
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