Quantum Monte Carlo study of large spin-polarized tritium clusters

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

2010-01-08

arxiv.org/abs/1001.1224v1

J. Chem. Phys. 131, 244506 (2009)

Physics

Condensed Matter

Other Condensed Matter

8 pages, 5 figures

Scientific paper

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

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