English

Quantum Monte Carlo study of small pure and mixed spin-polarized tritium clusters

Other Condensed Matter 2009-11-13 v1

Abstract

We have investigated the stability limits of small spin-polarized clusters consisting of up to ten spin-polarized tritium T\downarrow atoms and the mixtures of T\downarrow with spin-polarized deuterium D\downarrow and hydrogen H\downarrow atoms. All of our calculations have been performed using the variational and diffusion Monte Carlo methods. For clusters with D\downarrow atoms, the released node procedure is used in cases where the wave function has nodes. In addition to the energy, we have also calculated the structure of small clusters using unbiased estimators. Results obtained for pure T\downarrow clusters are in good accordance with previous calculations, confirming that the trimer is the smallest spin-polarized tritium cluster. Our results show that mixed T\downarrow-H\downarrow clusters having up to ten atoms are unstable and that it takes at least three tritium atoms to bind one, two or three D\downarrow atoms. Among all the considered clusters, we have found no other Borromean states except the ground state of the T\downarrow trimer.

Keywords

Cite

@article{arxiv.0712.1730,
  title  = {Quantum Monte Carlo study of small pure and mixed spin-polarized tritium clusters},
  author = {I. Beslic and L. Vranjes Markic and J. Boronat},
  journal= {arXiv preprint arXiv:0712.1730},
  year   = {2009}
}

Comments

12 pages, 5 figures, accepted for publication in J. Chem. Phys