小氦团簇中H杂质的量子Monte Carlo研究
Quantum Monte Carlo study of the H- impurity in small helium clusters
摘要：
本文用变分法和扩散蒙特卡罗方法计算了含H-杂质的小氦团簇（~ 4 He）的基态能量和结构性质。结果表明，除了4He_2H-的贡献主要来自于两个4 He原子之间的H-杂质的共线几何构型外，4He_NH-团簇还具有一个紧密的4He_N子系统，它将H-杂质束缚在其表面。$N\geq 3$的结果可以解释调用的不同功能的最小值的He-He和He-H相互作用潜力。
英文摘要：
We report ground state energies and structural properties for small helium clusters (4He) containing an H- impurity computed by means of variational and diffusion Monte Carlo methods. Except for 4He_2H- that has a noticeable contribution from collinear geometries where the H- impurity lies between the two 4He atoms, our results show that our 4He_NH- clusters have a compact 4He_N subsystem that binds the H- impurity on its surface. The results for $N\geq 3$ can be interpreted invoking the different features of the minima of the He-He and He-H- interaction potentials.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
