Characterization of the molecular iodine electronic wave functions and potential energy curves through hyperfine interactions in the B0+{sub u}(3Pi{sub u}) state

Journal Article · Wed May 11 00:00:00 EDT 2005 · Journal of the Optical Society of America. B, Optical Physics

DOI:https://doi.org/10.1364/JOSAB.22.000951· OSTI ID:15016606

Chen, Lisheng; De Jong, Wibe A; Ye, Jun

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.

• Research Organization: Pacific Northwest National Lab., Richland, WA (US), Environmental Molecular Sciences Laboratory (US)
• Sponsoring Organization: US Department of Energy (US)
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 15016606
• Report Number(s): PNNL-SA-43950; 2385; KP1301030; TRN: US200515%%161
• Journal Information: Journal of the Optical Society of America. B, Optical Physics, Vol. 22, Issue 5; Other Information: PBD: 11 May 2005
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ELECTRONIC STRUCTURE
IODINE
NUMERICAL ANALYSIS
POTENTIAL ENERGY
VERIFICATION
WAVE FUNCTIONS
ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY