Table 1 Nuclear ensemble statistical results for the isotropic and anisotropic polarizabilities. The column \(\alpha _{iso}^{exp}\) corresponds to the experimental values of \(\alpha _{iso}\). The third column contains the ensemble mean of \(\alpha _{iso}\) with the respective dispersion. The next column shows the vibrational dispersion as a percentage of the mean value. The two last columns correspond to the same properties for the anisotropic component.

From: Vibrational effects on polarizability: insights from normal mode analysis

Molecule

\(\alpha _{iso}^{exp}\) (Å\(^{3}\))

\(\overline{\alpha }{_{iso}} \pm \sigma _{iso}\) (Å\(^{3}\))

\(\sigma _{iso}\) (%)

\(\overline{\alpha }{_{aniso}} \pm \sigma _{aniso}\) (Å\(^{3}\))

\(\sigma _{aniso}\) (%)

CH\(_4\)

2.5648

2.56 ± 0.17

6.7

0.32 ± 0.12

38.2

CF\(_2\)Cl\(_2\)

6.3550

6.61 ± 0.12

1.8

2.10 ± 0.18

8.4

CO

1.9449

1.94 ± 0.05

2.4

0.50 ± 0.07

14.7

HF

0.8249

0.82 ± 0.05

6.3

0.21 ± 0.08

40.7

CF\(_3\)CH\(_2\)F

4.5351

4.62 ± 0.14

3.1

0.40 ± 0.12

30.5

H\(_2\)O

1.4549

1.44 ± 0.09

6.2

0.17 ± 0.08

49.4

NH\(_3\)

2.1649

2.14 ± 0.13

6.3

0.34 ± 0.08

23.2

CF\(_4\)

2.8348

2.86 ± 0.06

2.0

0.14 ± 0.04

31.2

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