Theoretical study of the low-lying doublet and quartet electronic states of 7Li16O molecule including spin-orbit coupling effect and a new limit to the adiabatic ionization energy
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2021.111123
Abstract: Abstract The potential energy curves of 7Li16O molecule for energies below 50,000 cm-1 have been investigated. All doublet and quartet electronic states considered here are studied at the CASSCF/icMRCI(Q) level of theory associated with the… read more here.
Keywords: electronic states; adiabatic ionization; quartet electronic; 7li16o molecule ... See more keywords