TURBOMOLE Users Forum

Forum General => TURBOMOLE Forum General => Topic started by: leopol on December 07, 2023, 01:54:54 PM

Title: Two-photon absorption calculations
Post by: leopol on December 07, 2023, 01:54:54 PM

Dear Turbomole Team,

my question concerns the two-photon absorption calculations in Turbomole and more precisely, when considering linearly polarized light with parallel polarization how is the TPA strength computed with respect to the direction of the transition dipole moment of the molecule?

Thank you

Best regards

Title: Re: Two-photon absorption calculations
Post by: christof.haettig on March 24, 2024, 04:48:49 PM

Is your question related to any of the TURBOMOLE programs (escf or ricc2) or do you just ask generally?