The phase diagram of water has been calculated for the TIP4PQ/2005 model, an
empirical rigid non-polarisable model. The path integral Monte Carlo technique
was used, permitting the incorporation of nuclear quantum effects. The
coexistence lines were traced out using the Gibbs-Duhem integration method,
once having calculated the free energies of the liquid and solid phases in the
quantum limit, which were obtained via thermodynamic integration from the
classical value by scaling the mass of the water molecule. The resulting phase
diagram is qualitatively correct, being displaced to lower temperatures by
15-20K. It is found that the influence of nuclear quantum effects are
correlated to the tetrahedral order parameter.Comment: 10 pages, 6 figures, 1 tabl
