Quasiclassical trajectory and wave packet calculations for D + CaCl(X2Σ+; vi = 0, ji = 0) → DCl + Ca(1S) reaction
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DOI: 10.1016/j.cplett.2016.11.046
Abstract: Abstract A computational study for the title reaction is carried out employing recent ab initio potential energy surface. J = 0 reaction probability is obtained using both quasiclassical trajectory (QCT) and wave packet methods. The total… read more here.
Keywords: quasiclassical trajectory; reaction; wave packet; title reaction ... See more keywords