Neon interatomic potentials from scattering data and crystalline properties

Perturbation calculations of the interaction energy between closed-shell Hartree-Fock atoms

“…The potential curve of Ng et al [61] is very close to the best experimental one, ESMSVIII [70]. The position of the van der Waals minimum is Re=5"86a 0 and its depth amounts to 13"30 × 10 -5 Eh.…”

“…The values of E(nLa~la, nLb~lo) were calculated at R=5-0, 5-5, 6-0 and 7.0 a o (according to the best experimental determination the van der Waals minimum occurs at R=5.86a o [70]). Then the quantities Em.m,(nLa, nLb) and %,.m~ were formed.…”

The neon-neon interatomic potential from a study of the liquid-vapour isotope separation factor

“…The pair potentials considered in this work are Maitland's potential [20], the MSV potential of Siska et al [21], the ESMSV potential of Ng et al [22], the two Smith-Thakkar potentials [23], the two MSV potentials of Goldman and Klein [24] and the ESMSV III potential of Farrar et al [25]. The latter potential has been found by Aziz [26] to give the best overall representation of the properties of the dilute gas.…”

Experimental thermal expansions for solid neon, 2?14 K

“…Farrar et al 9 recently have confirmed that these are inadequate for neon, and they have used molecular beam scattering and crystalline properties to establish interatomic potentials for neon which appear to be much more realistic. Presumably, after some refinement, these potentials will be used to calculate thermodynamic properties for neon for comparison with experiment.…”