Characterization of the molecular iodine electronic wave functions and potential energy curves through hyperfine interactions in the B0+{sub u}(3Pi{sub u}) state
Abstract
We present a high-resolution numerical analysis on the six electronic states that are coupled to the B state via hyperfine interactions in molecular iodine. The four hyperfine parameters, C{sub B}, {delta}{sub B}, d{sub B}, and eqQ{sub B}, are calculated using the available potential energy curves and the wave functions constructed from the separated-atom basis set. In the calculation, we are able to obtain a maximum separation of the contributions from all the six electronic states and compare each individual term with the high-precision spectroscopic data, providing an independent verification of the relevant electronic structure.
- Authors:
- Publication Date:
- Research Org.:
- Pacific Northwest National Lab., Richland, WA (US), Environmental Molecular Sciences Laboratory (US)
- Sponsoring Org.:
- US Department of Energy (US)
- OSTI Identifier:
- 15016606
- Report Number(s):
- PNNL-SA-43950
2385; KP1301030; TRN: US200515%%161
- DOE Contract Number:
- AC05-76RL01830
- Resource Type:
- Journal Article
- Journal Name:
- Journal of the Optical Society of America. B, Optical Physics
- Additional Journal Information:
- Journal Volume: 22; Journal Issue: 5; Other Information: PBD: 11 May 2005
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ELECTRONIC STRUCTURE; IODINE; NUMERICAL ANALYSIS; POTENTIAL ENERGY; VERIFICATION; WAVE FUNCTIONS; ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY
Citation Formats
Chen, Lisheng, De Jong, Wibe A, and Ye, Jun. Characterization of the molecular iodine electronic wave functions and potential energy curves through hyperfine interactions in the B0+{sub u}(3Pi{sub u}) state. United States: N. p., 2005.
Web. doi:10.1364/JOSAB.22.000951.
Chen, Lisheng, De Jong, Wibe A, & Ye, Jun. Characterization of the molecular iodine electronic wave functions and potential energy curves through hyperfine interactions in the B0+{sub u}(3Pi{sub u}) state. United States. https://doi.org/10.1364/JOSAB.22.000951
Chen, Lisheng, De Jong, Wibe A, and Ye, Jun. 2005.
"Characterization of the molecular iodine electronic wave functions and potential energy curves through hyperfine interactions in the B0+{sub u}(3Pi{sub u}) state". United States. https://doi.org/10.1364/JOSAB.22.000951.
@article{osti_15016606,
title = {Characterization of the molecular iodine electronic wave functions and potential energy curves through hyperfine interactions in the B0+{sub u}(3Pi{sub u}) state},
author = {Chen, Lisheng and De Jong, Wibe A and Ye, Jun},
abstractNote = {We present a high-resolution numerical analysis on the six electronic states that are coupled to the B state via hyperfine interactions in molecular iodine. The four hyperfine parameters, C{sub B}, {delta}{sub B}, d{sub B}, and eqQ{sub B}, are calculated using the available potential energy curves and the wave functions constructed from the separated-atom basis set. In the calculation, we are able to obtain a maximum separation of the contributions from all the six electronic states and compare each individual term with the high-precision spectroscopic data, providing an independent verification of the relevant electronic structure.},
doi = {10.1364/JOSAB.22.000951},
url = {https://www.osti.gov/biblio/15016606},
journal = {Journal of the Optical Society of America. B, Optical Physics},
number = 5,
volume = 22,
place = {United States},
year = {Wed May 11 00:00:00 EDT 2005},
month = {Wed May 11 00:00:00 EDT 2005}
}
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