We report ground state energies and structural properties for small helium clusters (He-4) containing a H- impurity computed by means of variational and diffusion Monte Carlo methods. Except for (He2H-)-He-4 that has a noticeable contribution from collinear geometries where the H- impurity lies between the two He-4 atoms, our results show that (HeNH-)-He-4 clusters have a compact He-4(N) subsystem that binds the H- impurity on its surface. The results for N greater than or equal to 3 can be interpreted invoking the different features of the minima of the He-He and He-H- interaction potentials. (C) 2000 American Institute of Physics. [S0021-9606(00)50501-7].

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

MELLA, MASSIMO;MOROSI, GABRIELE;BRESSANINI, DARIO
2000-01-01

Abstract

We report ground state energies and structural properties for small helium clusters (He-4) containing a H- impurity computed by means of variational and diffusion Monte Carlo methods. Except for (He2H-)-He-4 that has a noticeable contribution from collinear geometries where the H- impurity lies between the two He-4 atoms, our results show that (HeNH-)-He-4 clusters have a compact He-4(N) subsystem that binds the H- impurity on its surface. The results for N greater than or equal to 3 can be interpreted invoking the different features of the minima of the He-He and He-H- interaction potentials. (C) 2000 American Institute of Physics. [S0021-9606(00)50501-7].
2000
<Go to ISI>://WOS:000084506900009
M., Casalegno; Mella, Massimo; Morosi, Gabriele; Bressanini, Dario
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11383/1735826
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