Accurate MRCI study of the low-lying electronic states of the AlS molecule
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DOI: 10.1016/j.comptc.2020.113097
Abstract: Abstract In this paper, ab initio potential energy curves of the first two lowest dissociation channels of AlS have been calculated by using the complete active space self-consistent field (CASSCF) and the internally contracted multireference… read more here.
Keywords: als molecule; states als; mrci study; transition properties ... See more keywords