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Author Topic: exited state polarizability  (Read 8720 times)

lsikk

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exited state polarizability
« 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
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basklau

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Re: exited state polarizability
« Reply #1 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
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christof.haettig

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Re: exited state polarizability
« Reply #2 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
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