Attachment Energetics of Quantum Dopants in a Weakly Interacting Quantum Solvent: 1H, 2H and 3H in Small 4He Clusters
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- 作者：E. Coccia ; F. A. Gianturco
- 刊名：Journal of Physical Chemistry A
- 出版年：2010
- 出版时间：March 11, 2010
- 年：2010
- 卷：114
- 期：9
- 页码：3221-3228
- 全文大小：240K
- 年卷期：v.114,no.9(March 11, 2010)
- ISSN：1520-5215
文摘
Small 4He clusters doped with a single atomic impurity, 1H, 2H, and 3H, have been studied via a quantum Monte Carlo approach with the intent of establishing their binding behavior in nanoscopic clusters. Our calculations find that the only trimer xH (He)2, which exhibits a bound state, is that with the tritium dopant (x = 3), in agreement with previous calculations using hyperspherical coordinates in the adiabatic approximation. The lightest dopant 1H is seen not to stabilize the small helium clusters, while 2H and 3H are weakly bound to this solvent: our computed exchange energies and probability distribution functions reveal the “heliophobic“ nature of hydrogen, leading thus to a further confirmation, in the realm of nanoscopic-size systems like the helium droplets, of the well-known nonmixing and nonsolvating features of hydrogen in macroscopic liquid bulk helium.