Neural network potential energy surfaces and dipole moment surfaces for SO(HO) and SO(HO) complexes.

Full-dimensional, -based many-body potential energy surfaces and dipole moment surfaces constructed using the neural network method for SO(HO) ( = 1,2) complexes are reported. The database of the SO 1-body PES, SO(HO) 2-body PES and SO(HO) 3-body PES consists of 11 952, 79 882 and 84 159 energies, respectively. All 1-body energies were calculated at the CCSD(T)/CBS(AVTZ:AVQZ) level and all 2,3-body energies were calculated at the DSD-PBEP86/AVTZ level. The database of DMSs is the same as that of PESs and all dipole moments were calculated at the MP2/AVTZ level. Harmonic frequencies and dissociation energies of SO(HO) and SO(HO) were calculated on these PESs and compared with results to examine the fidelity of these PESs.