6533b7d1fe1ef96bd125c3f6

RESEARCH PRODUCT

Magic numbers, excitation levels, and other properties of small neutral 4He clusters (Nor = 50).

Jesús NavarroRafael GuardiolaJ. Peter ToenniesOleg Kornilov

subject

Distribution functionChemistryExcited stateAtomMonte Carlo methodCluster (physics)General Physics and AstronomyDiffusion Monte CarloPhysical and Theoretical ChemistryAtomic physicsDiffusion (business)Excitation

description

The ground-state energies and the radial and pair distribution functions of neutral 4He clusters are systematically calculated by the diffusion Monte Carlo method in steps of one 4He atom from 3 to 50 atoms. In addition the chemical potential and the low-lying excitation levels of each cluster are determined with high precision. These calculations reveal that the "magic numbers" observed in experimental 4He cluster size distributions, measured for free jet gas expansions by nondestructive matter-wave diffraction, are not caused by enhanced stabilities. Instead they are explained in terms of an enhanced growth due to sharp peaks in the equilibrium concentrations in the early part of the expansion. These peaks appear at cluster sizes which can just accommodate one more additional stable excitation. The good agreement with experiment provides not only experimental confirmation of the energy level and the chemical potential calculations, but also evidence for a new mechanism which can lead to magic numbers in cluster size distributions. By accounting for the falloff of the radial density distributions at the surface and a size-dependent surface tension, the energy levels are demonstrated to be consistent with a modified Rayleigh model of surface excitations. The compressibility coefficient of these small clusters is found to be one order of magnitude smaller than the bulk compressibility.

10.1063/1.2140723https://pubmed.ncbi.nlm.nih.gov/16512716