exited state polarizability

Started by lsikk, March 06, 2008, 01:40:43 PM

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lsikk

Hi

I want to know if its possible to calculate the static polarizability of the exited state?

Lauri

basklau

Did some one find out whether it possible to calculate static ppolarizabilities of excited states with TURBOMOLE ?

basklau

christof.haettig

So far this is only possible via numerical differentiation of the excited state dipole moment with respect to the strength
of an external electrid field which can be applied in the dscf/ridft/escf calculations.

Christof