Sign reversal of the spin-orbit constant for the C³Πᵤ state of N₂
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]
|Collections||ANU Research Publications|
|Source:||The Journal of Chemical Physics|
|01_Ndome_Sign_reversal_of_the_2008.pdf||Published Version||131.87 kB||Adobe PDF|
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