English

Solvation of Mg in Helium-4: Are there Meta-stable Mg Dimers ?

Chemical Physics 2017-09-13 v1

Abstract

Experiments on the formation of magnesium complexes in 4^4He nanodroplets were interpreted as the observation of the formation of weakly bound magnesium complexes. We present results for single Mg and Mg dimer solvation using the hypernetted chain / Euler-Lagrange method as well as path integral Monte Carlo simulations. We find that the phonon-mediated, indirect Mg-Mg interaction adds an oscillatory component to the direct Mg-Mg interaction. We undertake a step-by-step examination of the ingredients of the calculation of the phonon-induced interaction, comparing the results of semi-analytic HNC-EL calculations for bulk and single impurity results with experiments as well as Monte Carlo data. We do not find evidence for a sufficiently strong secondary minimum in the effective Mg-Mg interaction to support a metastable state.

Keywords

Cite

@article{arxiv.1610.04556,
  title  = {Solvation of Mg in Helium-4: Are there Meta-stable Mg Dimers ?},
  author = {Eckhard Krotscheck and Robert E. Zillich},
  journal= {arXiv preprint arXiv:1610.04556},
  year   = {2017}
}

Comments

19 pages, 7 figures