Figure 1.
The intermolecular coordinate frame used in this paper.

Figure 2.
Comparison of the O-O, O-H, and H-H correlation functions for the TIP4P and ST2 water models at ambient conditions [thin solid line (epsilon_r^infinity=80) and dotted line (epsilon_r^infinity=1) which coincide within the scale of the graph] with those for the truncated models (8/10) (dashed line) and (4/6) (thick solid line). The curves are subsequently shifted by 1.

Figure 3.
Relative deviations, equation (18), in the O-O correlation functions. The reference result is the thin horizontal line, for other symbols see the caption to figure 2. Positions of the first maxima on the reference correlation functions [for the full (epsilon_r^infinity=80) and short-range (4/6) models only] are marked by thin vertical lines. The curves for different temperatures are subsequently shifted by appropriate values.

Figure 4.
The same as figure 3 for the O-H correlation functions with the first maxima of g_OH marked by thin vertical lines.

Figure 5.
The same as figure 3 for the H-H correlation functions.

Figure 6.
Comparison of the dipole-dipole correlation functions PI₁(r). For the description of lines see the caption to figure 2. The curves are subsequently shifted by 0.5.

Figure 7.
Comparison of the running Kirkwood factors, equation (15), at ambient conditions. For the description of lines see the caption to figure 2. The horizontal straight lines represent the limiting Kirkwood factor g₁, equation (13).

Figure 8.
The same as figure 6 for PI₂(r). The curves are subsequently shifted by 0.25.

Figure 9.
Contour plots showing the 2D correlation functions g_2D(r_OO,r_OH) (left) and g_2D(r_OH,r_OH) (right) for the TIP4P water (eps_r^infinity=80, green) and the short-range TIP4P(4/6) model (magenta) at ambient conditions; overlapping contours appear black. The inset shows the cross section at r_OO marked by the thin line. Numbers at lines denote values of g_2D.

Figure 10.
The correlation function g(1,2) at selected r_OO separations indicated by numbers in the corner (at first two maxima and two minima and at the middle points between two adjacent extremes) for the TIP4P water model (eps_r^infinity=80) at ambient conditions. The pictures with ligth blue background show a compositions made up of 1000 maximum values of the correlation fuction, the yellow background picture of only 100.

Figure 11.
The same as figure 10 for the short-range TIP4P(4/6) model.

Figure 12.
The same as figure 10 for the ST2 (epsilon_r^infinity=80) model.

Figure 13.
The same as figure 10 for the short-range ST2(4/6) model.

Figure 14.
The most probable configurations of a pair of water molecules at the first minimum of g(1,2) at ambient conditions.

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