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. Author manuscript; available in PMC: 2022 Nov 14.
Published in final edited form as: J Chem Phys. 2010 Jun 28;132(24):244109. doi: 10.1063/1.3432620

Table V.

Fit parameters of the current-current auto-correlation function 〈J(0) · J(t)〉 according to f(t)=kAktγk1et/τk. ω3 and δ3 are zero.

x H 2 O A1 [D2 ps−2] ω1 [ps−1] δ 1 τ1 [ps] A2 [D2 ps−2] ω2 [ps−1] δ 2 τ2 [ps] A3 [D2 ps−2] τ3 [ps]
0.974 1.89·104 17.016 -1.293 0.059 67.1·104 0.160 1.524 0.235 -14.7 13.2
0.932 5.12·104 16.415 -1.099 0.071 97.8·104 0.233 1.519 0.216 -78.9 6.0
0.899 8.71·104 14.912 -1.144 0.065 105·104 0.299 1.519 0.194 -149 10.0
0.852 9.22·104 16.833 -1.124 0.072 143·104 0.324 1.520 0.183 -191 3.6
0.785 11.9·104 17.240 -0.954 0.082 233·104 0.217 1.545 0.169 -134 6.2
0.653 13.9 104 18.359 -1.009 0.084 271 104 0.285 1.543 0.142 -262 3.8