Author Topic: transition dipole moment  (Read 8191 times)

arek1arek

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transition dipole moment
« on: April 11, 2008, 09:39:48 PM »
Dear All,

Is it possible to calculate the transition dipole moment between two excited states with Turbomole?

Arek

christof.haettig

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Re: transition dipole moment
« Reply #1 on: April 15, 2008, 03:02:44 PM »
At which level? DFT, SCF, CIS, CC2?

acapobia

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Re: transition dipole moment
« Reply #2 on: September 10, 2009, 10:20:51 AM »
I'm sorry if I update this old post, however, since  the question remained unsolved and since i am interested in sos expressions like < e | mu | e' >, e and e' being excited states, I'll ask that question again: is there a way (TM510 or TM6.0) to get transition dipole moments between two excited states at DFT or CC2 level ?

Thank you all in advance.

amedeo

christof.haettig

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Re: transition dipole moment
« Reply #3 on: September 14, 2009, 09:19:57 AM »
For CC2 this will become available with the next release TM6.1.

Christof