Naslov
Quantum Monte Carlo study of large spin-polarized tritium clusters

Autori
Bešlić, Ivana ; Vranješ Markić, Leandra ; Boronat, Jordi

Izvornik
The Journal of chemical physics (0021-9606) 131 (2009), 24; 244506, 6

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
spin-polarized hydrogen ; diffusion Monte Carlo ; liquid-drop model

Sažetak
This work expands recent investigations in the field of spin-polarized tritium (T↓) clusters. We report the results for the ground-state energy and structural properties of large T↓ clusters consisting of up to 320 atoms. All calculations have been performed with variational and diffusion Monte Carlo methods, using an accurate ab initio interatomic potential. Our results for 𝑁≤40 are in good agreement with results obtained by other groups. Using a liquid-drop expression for the energy per particle, we estimate the liquid equilibrium density, which is in good agreement with our recently obtained results for bulk T↓. In addition, the calculations of the energy for large clusters have allowed for an estimation of the surface tension. From the mean-square radius of the drop, determined using unbiased estimators, we determine the dependence of the radii on the size of the cluster and extract the unit radius of the T↓ liquid.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

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