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Author |
Navarro, J.; Mateo, D.; Barranco, M.; Sarsa, A. |
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Title |
Mg impurity in helium droplets |
Type |
Journal Article |
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Year |
2012 |
Publication |
Journal of Chemical Physics |
Abbreviated Journal |
J. Chem. Phys. |
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Volume |
136 |
Issue |
5 |
Pages |
054301 - 9pp |
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Abstract |
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 He-4 clusters, our results confirm those of Mella et al. [J. Chem. Phys. 123, 054328 (2005)1 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 He-3 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 P-1(1) <- 3s(2) S-1(0) transition. |
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Address |
[Sarsa, A.] Univ Cordoba, Dept Fis, Fac Ciencias, E-14071 Cordoba, Spain, Email: fa1sarua@uco.es |
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Publisher |
Amer Inst Physics |
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English |
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ISSN |
0021-9606 |
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Notes |
WOS:000300547200018 |
Approved |
no |
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Is ISI |
yes |
International Collaboration ![sorted by International Collaboration field, descending order (down)](img/sort_desc.gif) |
no |
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Call Number |
IFIC @ pastor @ |
Serial |
921 |
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Author |
Leal, A.; Mateo, D.; Pi, M.; Barranco, M.; Navarro, J. |
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Title |
The structure of mixed He-3-He-4 droplets doped with OCS: A density functional approach |
Type |
Journal Article |
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Year |
2013 |
Publication |
Journal of Chemical Physics |
Abbreviated Journal |
J. Chem. Phys. |
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Volume |
139 |
Issue |
17 |
Pages |
174308 - 6pp |
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Keywords |
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Abstract |
We have investigated the structure and energetics of mixed He-3-He-4 droplets doped with a carbonyl sulfide molecule within a density functional approach considering a small but finite temperature of 0.1 K. The molecule is treated as an external field to which the helium droplet is attached. The energetics and appearance of these droplets are discussed for selected numbers of helium atoms, identifying the first magic numbers of the fermionic component. |
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Address |
[Leal, Antonio; Mateo, David; Pi, Marti; Barranco, Manuel] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain |
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Publisher |
Amer Inst Physics |
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English |
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ISSN |
0021-9606 |
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Conference |
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Notes |
WOS:000326922300022 |
Approved |
no |
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Is ISI |
yes |
International Collaboration ![sorted by International Collaboration field, descending order (down)](img/sort_desc.gif) |
no |
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Call Number |
IFIC @ pastor @ |
Serial |
1658 |
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Permanent link to this record |