Table 3.

Values of C(T) in cm⁶/mol² for H₂O using various approximations and potentials and interpolated from experimental sources. The uncertainties are statistical uncertainties of the calculation. All calculations use PIMC unless otherwise noted.

	Temperature (K)
	300		500		600		700		1000
	value	unc	value	unc	value	unc	value	unc	value	unc
CCpol2	−2.17×106	2×104	8837	62	5083	16	2888	6	863	2
CCpol2+CCpol3 (rigid, classical)	−2.15×107	4×105	−14957	339	−335	81	903	34	592	8
CCpol2+CCpol3 (rigid, semiclassical)	−7.90 ×106	2×105	−9631	315	41	80	887	47	579	9
CCpol2+CCpol3 (rigid)	−8.67×106	1×105	−9160	251	162	71	923	37	576	8
CCpol−8sf + CCpol3 (flex)	−8.02 ×106	2×105	−11171	554	0	119	1008	72	655	15
MB−pol (rigid)	−8.97 ×106	2×105	−13274	478	−1368	128	257	46	379	12
MB−pol (flexible)	−1.37×107	6×105	−17878	642	−2310	146	−117	69	350	16
CCpol−8sf + MB−pol3 (flex)	−1.20×107	2×105	−18999	241	−2189	73	6	23	377	3
Kell78			−17000		490		1335
Eubank79			−14000		580
Abdulagatov80					100
Vukalovich81									655