An accurate many-body expansion potential energy surface for HO2 (X 2A”) by extrapolation to the complete basis set limit and quantum dynamics of the related reaction O(3P) + OH(2Π)

A new global many-body expansion potential energy surface (PES) for the ground electronic state of HO2 is constructed. All ab initio energy points are employed using aug-cc-pV(Q+ d)Z and aug-cc-pV(5+ d)Z basis sets at the multi-reference conformational…

An accurate many-body expansion potential energy surface for HO2 (X 2A″) by extrapolation to the complete basis set limit and quantum dynamics of the related reaction O(3P) + OH(2Π)

A new global many-body expansion potential energy surface (PES) for the ground electronic state of HO2 is constructed. All ab initio energy points are employed using aug-cc-pV(Q+ d)Z and aug-cc-pV(5+ d)Z basis sets at the multi-reference conformational…