Quantum Monte Carlo study of the H impurity in small helium clusters
نویسندگان
چکیده
We report ground state energies and structural properties for small helium clusters (He) containing an H− impurity computed by means of variational and diffusion Monte Carlo methods. Except for 4He2H − that has a noticeable contribution from collinear geometries where the H− impurity lies between the two He atoms, our results show that our 4HeNH − clusters have a compact 4HeN subsystem that binds the H − impurity on its surface. The results for N ≥ 3 can be interpreted invoking the different features of the minima of the He-He and He-H− interaction potentials.
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