TURBOMOLE Users Forum

TURBOMOLE Modules => Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools => Topic started by: shima on November 18, 2007, 11:01:51 AM

Title: dipole moment
Post by: shima on November 18, 2007, 11:01:51 AM

Hi,

Do you know if the dipole moment in TURBOMOLE is defined from (-) to (+)
as in GAUSSIAN?
Is there any simplw way to visualize it?

thanks,

shima

Title: Re: dipole moment
Post by: zelsan on November 30, 2012, 08:37:05 AM

Hi,
Sorry, I don't know answer to your question, I am actually hoping you could help me.
I don't know how to calculate electric dipol moment in excited states. (not transition dipol moment, but just electric dipol moment). If you know, could you please help me?

Greetings!