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Sign reversal of the spin-orbit constant for the C³Πᵤ state of N₂

Ndome, H.; Hochlaf, M.; Lewis, B. R.; Heays, Alan; Gibson, S. T.; Lefebvre-Brion, H.

Description

Ab initio calculations are performed at the multireference configuration-interaction level of theory on the diagonal spin-orbit functions for the lowest non-Rydberg states of ³Πᵤ symmetry in molecular nitrogen. Spin-orbit constants deduced from the ab initio results confirm the recent suggestion, based on new experimental results, that the C³Πᵤ state of N₂, long known to be regular in the region of its potential-energy curve minimum, becomes inverted at higher energies. By removing the effects...[Show more]

CollectionsANU Research Publications
Date published: 2008-10-24
Type: Journal article
URI: http://hdl.handle.net/1885/16617
Source: The Journal of Chemical Physics
DOI: 10.1063/1.2990658

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