Research Article
Second Harmonic Generation, Electrooptical Pockels Effect, and Static First-Order Hyperpolarizabilities of 2,2′-Bithiophene Conformers: An HF, MP2, and DFT Theoretical Investigation
Table 3
Static and frequency-dependent ( a.u.) electronic polarizabilities (a.u.) and first-order hyperpolarizabilities (a.u.) of 2,2′-bithiophene rotamersa.
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The calculations were performed at the HF/POL level on the MP2/6-311G** geometries. The values in parentheses refer to the frequency-dependent polarizabilities at a.u.. |