Bounds to two- and three-body long-range interaction coefficients for S-state atoms

Abstract

New upper and lower bounds to the van der Waals C6, C8, and C10 coefficients for hydrogen, noble gas, alkali, and alkaline earth atoms are determined by using Padé approximants to bound the dynamic multipole polarizabilities. Also, the nonadditive, three-body coefficients involving dipole, quadrupole, and octupole interactions are bounded.

Scattering length of the ground-stateMg+Mgcollision

“…agrees quite well with the bounds of Ref. [36]. Finally, the dispersion coefficients can be evaluated from molecular electronic structure calculations.…”

“…[37] and [36]. This potential reproduces the experimental term values to 0.2 cm −1 , an order of magnitude better than the comparison for the other three potentials, and gives a scattering length of +1.4(5) nm where the error is prodominantly due to the uncertainty in D e and the C 6 dispersion coefficient.…”

“…The result of this calculation is C 6 = 647.8 a.u.. Upper and lower bounds for the dispersion coefficients have been obtained in Ref. [36] using a Pade approximation to bound the atomic multipole polarizabilities. Their ranges are C 6 = 630 a.u.…”

“…The short-range part of the IPA potential smoothly connects to the state-of-the-art long-range dispersion and exchange potential of Refs. [37,36,38] and thus gives added confidence in the potential.…”

“…[37] and the C 8 and C 10 coefficients are taken from Ref. [36]. The exchange potential is from Ref.…”