The interaction of OH(X²Π) with H₂: ab initio potential energy surfaces and bound states.


For the interaction of OH(X(2)Π) with H2, under the assumption of fixed OH and H2 bond distances, we have determined two new sets of four-dimensional ab initio potential energy surfaces (PES's). The first set of PES's was computed with the multi-reference configuration interaction method [MRCISD+Q(Davidson)], and the second set with an explicitly correlated… (More)
DOI: 10.1063/1.4900478


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