Mg impurity in helium droplets

Mg impurity in helium droplets

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Mg impurity in helium droplets

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Navarro Faus, Jesús; Mateo, David; Barranco, Manuel; Sarsa, Antonio
Aquest document és un/a article, creat/da en: 2012
Within the diffusion Monte Carlo approach, we have determined the structure of isotopically pure and mixed helium droplets doped with one magnesium atom. For pure (4)He clusters, our results confirm those of Mella et al. [J. Chem. Phys. 123, 054328 (2005)] that the impurity experiences a transition from a surface to a bulk location as the number of helium atoms in the droplet increases. Contrarily, for pure (3)He clusters Mg resides in the bulk of the droplet due to the smaller surface tension of this isotope. Results for mixed droplets are presented. We have also obtained the absorption spectrum of Mg around the 3s3p (1)P(1) ← 3s(2) (1)S(0) transition.

    Navarro Faus, Jesús Mateo, David Barranco, Manuel Sarsa, Antonio 2012 Mg impurity in helium droplets Journal of Chemical Physics 136 5 054301
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