LiH^{鈭?/sup>(2危+) attached to small clusters of 4He: A stochastic analysis}

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• 作者：F. Marinetti ; F.A. Gianturco ; ^{fa.gianturco@caspur.it}
• 关键词：Doped helium clusters ; Quantum structure calculations ; Diffusion Monte Carlo method
• 刊名：Chemical Physics
• 出版年：2012
• 期刊代码：18_03010104
• 类别：ch
• 出版时间：3 May, 2012
• 卷：399
• 期：Complete
• 页码：205-212
• 文件大小：431 K

摘要

Diffusion Monte Carlo (DMC), after Variational Monte Carlo (VMC), calculations are carried out to assess the possible binding and the spatial collocation of the negatively charged LiH^{鈭?/sup> molecule as a single dopant in small clusters of 4He. The number of cluster adatoms is extended to N = 15 and the bosonic, quantum solvent is found to stabilize as a nearly independent cluster with the dopant molecule sitting on its surface. The spatial features displayed by such weakly bound series of complexes are discussed and analyzed.}