Publication | Closed Access
An accurate intermolecular potential for argon
415
Citations
42
References
1977
Year
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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