Ab initio study of the low-lying electronic states of YbCl molecule including spin-obit effects
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DOI: 10.1016/j.jqsrt.2018.05.024
Abstract: Abstract Ab initio quantum chemistry calculations for the low-lying electronic states of YbCl molecule, including the spin-orbit effects, have been performed via the CASSCF/MRCI (single and double excitations with Davidson correction) method. Adiabatic potential energy… read more here.
Keywords: lying electronic; low lying; electronic states; ybcl molecule ... See more keywords