Table 8.

The percentage of charge fluctuation contributions to the total molecular polarizability of 21 molecules, as defined in Eq. 22 using different charge schemes.

	Löwdin	Mulliken	Becke	Hirshfeld (CM5)	Hirshfeld-I	NPA	CHELPG	MK-ESP
acetic acid	62.41	93.27	59.33	56.90	74.84	63.97	93.99	94.52
adenine	72.20	90.30	70.28	69.59	80.90	71.38	91.33	92.08
alanine	70.48	106.17	67.69	66.45	80.94	68.36	98.68	99.19
ammonia	47.11	83.87	44.13	39.16	76.69	55.01	94.84	95.73
benzene	73.32	104.17	69.36	68.07	82.13	73.92	86.53	87.29
dodecahexene	86.66	101.49	84.80	84.17	91.35	86.64	93.24	93.65
ethanol	62.86	109.12	58.34	55.73	79.20	65.67	97.46	98.53
formamide	61.16	85.11	57.26	55.08	74.80	64.48	82.03	82.78
formic acid	56.63	76.11	52.88	50.94	70.74	59.51	80.30	80.83
indole	75.68	102.60	72.67	71.83	83.45	75.10	87.24	87.83
methanal	53.50	82.21	49.92	46.43	69.44	60.48	79.57	80.75
methane	59.29	115.66	51.67	45.48	76.70	66.27	94.97	96.48
methanol	58.40	99.43	53.70	50.29	77.11	63.43	95.91	97.12
methyl ether	62.88	106.10	58.67	55.46	78.78	65.41	96.99	98.06
mNA	74.62	94.78	72.54	71.69	82.54	74.29	91.85	92.53
neopentane	67.84	121.09	64.04	61.52	81.84	66.77	97.69	98.82
pNA	76.80	95.08	74.75	73.86	84.24	76.77	91.98	92.61
thymine	71.93	95.14	69.64	68.26	80.34	71.28	93.51	94.27
uracil	71.02	89.43	68.76	67.35	79.11	71.05	88.44	90.68
valine	70.77	109.47	68.32	67.03	81.92	68.18	98.78	99.32
water	38.52	60.61	37.03	33.52	71.45	47.32	78.74	79.14
average	65.43	96.25	62.18	59.94	78.98	67.40	91.15	92.01