TURBOMOLE Users Forum

TURBOMOLE Modules => Escf and Egrad => Topic started by: lsikk on March 06, 2008, 01:40:43 PM

Title: exited state polarizability
Post by: lsikk on March 06, 2008, 01:40:43 PM
Hi

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

Lauri
Title: Re: exited state polarizability
Post by: basklau on March 19, 2009, 11:06:04 AM
Did some one find out whether it possible to calculate static ppolarizabilities of excited states with TURBOMOLE ?

basklau
Title: Re: exited state polarizability
Post by: christof.haettig on March 27, 2009, 02:57:09 PM
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