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
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.