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. 2019 Feb 7;116(9):3401–3406. doi: 10.1073/pnas.1816132116

Fig. 3.

Fig. 3.

Polarizability per C atom for the series of s-trans alkenes (from C6H8 to C22H24) and acenes (from benzene to pentacene) as well as fullerene (C60). The reference CCSD results for anthracene and tetracene were taken from ref. 49, and the reference CCSD result for C60 was taken from ref. 50. The green squares (and error bars) indicate the experimental measurements for C60 (51). Results are provided from DFT and CCSD calculations as well as the corresponding AlphaML models.