Solvent-induced two-photon absorption of a push-pull molecule

• Solvent-induced two-photon absorption cross sections are calculated for a push-pull molecule in solutions using both self-consistent reaction field and internal finite field approaches. It is shown analytically and numerically that the results from the two methods can be connected through induced local reaction field factors. The two-photon cross sections of the studied push-pull polyene are found to be rather insensitive to the choice of cavity shape. The solvent dependence of the two-photon absorption displays a pattern different from that of the first hyperpolarizability.

Nyckelord

nonlinear-optical properties

probability rate constants

donor-acceptor polyenes

bond-length alternation

2-photon absorption

response calculations

cross-sections

basis-sets

oligomers

spectrum

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