Journal of Chemical Physics, Vol.114, No.7, 3163-3169, 2001
Localization of helium at an aromatic molecule in superfluid helium clusters
Analysis of the helium distribution around a benzene molecule in a He-4(N) cluster with the path integral method shows evidence of near complete localization of two He-4 atoms at positions above and below the molecular plane. These two atoms are only very weakly coupled to the remainder of the first solvation shell by permutation exchanges, implying that these atoms are effectively removed from the superfluid solvation. The implications of such localization for molecular spectra in helium clusters are discussed. (C) 2001 American Institute of Physics.