Quantum Monte Carlo simulation of spin-polarized tritium

I. Bešlić, L. Vranješ Markić, and J. Boronat
Phys. Rev. B 80, 134506 – Published 7 October 2009

Abstract

The ground-state properties of spin-polarized tritium T at zero temperature are obtained by means of diffusion Monte Carlo calculations. Using an accurate ab initio T-T interatomic potential we have studied its liquid phase, from the spinodal point until densities above its freezing point. The equilibrium density of the liquid is significantly higher and the equilibrium energy of 3.664(6)K significantly lower than in previous approximate descriptions. The solid phase has also been studied for three lattices up to high pressures and we find that hcp lattice is slightly preferred. The liquid-solid phase transition has been determined using the double-tangent Maxwell construction; at zero temperature, bulk tritium freezes at a pressure of P=9(1)bar.

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  • Received 15 June 2009

DOI:https://doi.org/10.1103/PhysRevB.80.134506

©2009 American Physical Society

Authors & Affiliations

I. Bešlić1, L. Vranješ Markić1,2, and J. Boronat3

  • 1Faculty of Science, University of Split, HR-21000 Split, Croatia
  • 2Institut für Theoretische Physik, Johannes Kepler Universität, A 4040 Linz, Austria
  • 3Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Campus Nord B4-B5, E-08034 Barcelona, Spain

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Issue

Vol. 80, Iss. 13 — 1 October 2009

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