Phillips et al. 1994
Phillips, T.R., S. Maluendes, A.D. McLean, and S. Green, 1994: Anisotropic rigid rotor potential energy function for H2O-H2. J. Chem. Phys., 101, 5824-5830, doi:10.1063/1.467297.
We have calculated the interaction for H2O-H2 at 722 points on a five-dimensional surface where both molecules are treated as rigid rotators, and we have fitted the ab initio points to a 48-term angular expansion of products of spherical harmonics and rotation matrices. The resulting potential energy function shows strong angle dependence with a large contribution from electrostatic interactions. When averaged over H2 orientations, the resulting water-atom-like surface is found to have zero-crossing and minimum at similar distances to the corresponding H2O-He surface but to be generally more repulsive at short range and more attractive at long range. The isotropic average of the potential has a zero-crossing radius σ = 3.05 and a well depth g = 49.5 /cm at an intermolecular separation Rm = 3.52.
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Phillips, T.R., Maluendes, S., McLean, A.D., and Green, S.: Anisotropic rigid rotor potential energy function for H2O-H2, J. Chem. Phys., 101, 5824-5830, doi:10.1063/1.467297, 1994.
Phillips, T.R., S. Maluendes, A.D. McLean, and S. Green (1994), Anisotropic rigid rotor potential energy function for H2O-H2, J. Chem. Phys., 101, 5824-5830, doi:10.1063/1.467297.
Phillips, T.R., S. Maluendes, A.D. McLean, and S. Green, 1994: Anisotropic rigid rotor potential energy function for H2O-H2. J. Chem. Phys., 101, 5824-5830, doi:10.1063/1.467297.
Phillips, T.R., Maluendes, S., McLean, A.D., & Green, S. 1994, J. Chem. Phys., 101, 5824, doi:10.1063/1.467297.
Phillips TR, Maluendes S, McLean AD, Green S. Anisotropic rigid rotor potential energy function for H2O-H2, J Chem Phys 1994;101:5824-5830. doi:10.1063/1.467297.
T.R. Phillips, S. Maluendes, A.D. McLean, S. Green, J. Chem. Phys. 101, 5824-5830, doi:10.1063/1.467297 (1994).
