The Journal of Chemical Physics · 1977 · 415 citations · 42 references
EngineeringPhysicsAccurate Intermolecular PotentialArgon DimerNatural SciencesLong Range InteractionApplied PhysicsPhysical ChemistryMolecular SimulationComputational ChemistryQuantum ChemistryChemistryHigh PrecisionMolecular MechanicElectronic StructureChemical ThermodynamicsSpectra-structure CorrelationAb-initio Method
A simple precise intermolecular potential is proposed for argon. It was fit to new precise spectroscopic data for the argon dimer and the high temperature viscosity correlation of Maitland and Smith. The long range interaction was constrained within the bounds of Tang et al. and the ’’Hartree–Fock component’’ constrained close to the ab initio SCF calculations at short range due to Wahl. The potential is able to predict many other properties with high precision.
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Intermolecular forces in simple systems
Reinhart Ahlrichs, R. Penco, G. Scoles · Chemical Physics · 1977 · 533 citations