Quantum Monte Carlo study of the H- impurity in small helium clusters

M. Casalegno; M. Mella; G. Morosi; D. Bressanini

doi:10.1063/1.480562

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Quantum Monte Carlo study of the H- impurity in small helium clusters

M. Casalegno·M. Mella·G. Morosi·D. Bressanini

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Abstract

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.

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M. Casalegno, M. Mella, G. Morosi, D. Bressanini. 1999-07-15. Quantum Monte Carlo study of the H- impurity in small helium clusters. https://doi.org/10.1063/1.480562

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