http://arxiv.org/abs/2210.12477
Silicon mononitride ($^{28}$Si$^{14}$N, $^{29}$Si$^{14}$N, $^{30}$Si$^{14}$N, $^{28}$Si$^{15}$N) line lists covering infrared, visible and ultraviolet regions are presented. The \name\ line lists produced by ExoMol include rovibronic transitions between six electronic states: \XS, \AS, \BS, \DS, \asi, \bsi. The \ai\ potential energy and coupling curves, computed at the multireference configuration interaction (MRCI/aug-cc-pVQZ) level of theory, are refined for the observed states by fitting their analytical representations to 1052 experimentally derived SiN energy levels determined from rovibronic bands belonging to the $X$–$X$, $A$–$X$ and $B$–$X$ electronic systems through the MARVEL procedure. The SiNful line lists are compared to previously observed spectra, recorded and calculated lifetimes, and previously calculated partition functions. SiNful is available via the \url{www.exomol.com} database.
M. Semenov, N. Clark, S. Yurchenko, et. al.
Tue, 25 Oct 22
69/111
Comments: N/A