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The largest γ value of C50 is actually 34× 10-32 esu and is located at around 17300 cm-1. This γ value is, however, anomalously enhanced compared with the simulated result. The disagreement is accounted for the effect of the experimental artifact, which has been marked in the phase spectra (Ref.). For this reason, we consider that the experimental γmax of C50 is located at 18550 cm-1 (31× 10-32 esu), at which the simulated γ spectrum also has its maximum.
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The largest γ value of C50 is actually 34× 10-32 esu and is located at around 17300 cm-1. This γ value is, however, anomalously enhanced compared with the simulated result. The disagreement is accounted for the effect of the experimental artifact, which has been marked in the phase spectra (Ref.). For this reason, we consider that the experimental γmax of C50 is located at 18550 cm-1 (31× 10-32 esu), at which the simulated γ spectrum also has its maximum.
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There exists a one-photon forbidden state, S1, between S0 and S2. It does not actually contribute to the THG process. Note that the S2 and Sm states in the present study are denoted S1 and S2, respectively, in Ref..
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