Microsolvation of neutral dopants in small He clusters: relative locations of Li and Na atoms |
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| Authors: | C?Di Paola Email author" target="_blank">F A?GianturcoEmail author |
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| Institution: | (1) Dept. of Chemistry and INFM, The University of Rome “La Sapienza”, P.le A. Moro 5, 00185 Rome, Italy |
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| Abstract: | Quantum Calculations of binding energies and spatial
distributions are carried out using Diffusion Monte Carlo (DMC)
methods for several bosonic helium clusters containing lithium
and sodium atoms as neutral impurities. The global interaction
forces have been constructed via sum-of-potentials models with
accurate empirical potentials for the two-body (2B) forces,
disregarding many-body (MB) effects on such weakly interacting
systems. The results clearly show that both impurities can bind to
the helium clusters but that they chiefly reside outside them and
do not undergo microsolvation. |
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| Keywords: | |
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