Renormalization of the rotational constants of an ammonia molecule seeded into a 4He droplet

The solvation dynamics of an ammonia molecule seeded into a droplet of 4He containing N = 1 – 25 4He atoms are studied using the diffusion Monte Carlo method. Excited states are computed using the fixed-node procedure. The reduction of ∼3–5% in the rotational constants of the molecule is in quantitative agreement with recent experiments of Slipchenko and Vilesov (2005) [26] and disagrees with the much larger ∼25% reduction originally reported by Behrens et al. (1998) [25].