Theoretical Study on the Static (Hyper)Polarizabilities of α-t-Bu-ω-CN-Poly(methylphenyl)silane

Table 6

Electronic dipole moment 𝜇₀, static average polarizability 𝛼₀ (see (3)), and static first hyperpolarizability 𝛽₀ (4), as well as the individual components that contribute to the latter property. All quantities are in a.u.

𝑛	𝜇0	𝛼0	Δ𝛼0^a	𝛽𝑥𝑥𝑧	𝛽𝑦𝑦𝑧	𝛽𝑧𝑧𝑧	𝛽𝑧	𝛽0	Δ𝛽0^b
2	1.95	354.10		−27.0	−6.5	125.0	54.9	77.2
4	2.00	553.67	99.79	−25.4	−7.3	244.0	126.8	139.7	31.3
6	2.03	754.27	100.30	−29.7	−7.7	352.6	189.1	197.7	29.0
8	2.06	955.77	100.75	−31.1	−9.1	423.0	229.6	237.3	19.8
10	2.07	1158.17	101.20	−34.3	−10.1	472.9	257.1	264.3	13.5
12	2.08	1361.06	101.45	−33.2	−9.8	511.0	280.8	287.4	11.6
14	2.09	1564.33	101.64	−39.6	−8.5	550.7	301.6	306.0	9.3

^aΔ𝛼₀=[𝛼₀(𝑛)−𝛼₀(𝑛−2)]/2; ^bΔ𝛽₀=[𝛽₀(𝑛)−𝛽₀(𝑛−2)]/2.