Two-photon absorption and COSMO

[dpleft]

Hi all,
Does TURBOMOLE V7.9 support two-photon absorption calculations in the presence of a solvent using COSMO?

[chris.hol]

Hi dpleft,

in principle yes, though the contribution of the solvent to the right-hand side of the quadratic response equations will be neglected. But my estimate is that this contribution is generally much lower than the errors obtained for two-photon absorption cross sections.

Best,
Christof

[dpleft]

Thanks Christof