Table 1 Estimated pressure \(P_c\), temperature \(T_c\), and density \(\rho _c\) of the LLCP of q-TIP4P/F H\(_2\)O. Values of \(P_c\), \(T_c\), and \(\rho _c\) are obtained by using the TSEOS in combination with data from classical MD and PIMD simulations at \(180\le T \le 325\) K. Numbers in parenthesis are standard deviations.

From: Evidence of a liquid–liquid phase transition in H\(_2\)O and D\(_2\)O from path-integral molecular dynamics simulations

 

PIMD

Classical MD

\(P_c\)

167 (9)

203 (4)

\(T_c\)

159 (6)

175 (1)

\(\rho _c\)

1.02 (0.01)

1.03 (0.01)