TURBOMOLE Users Forum

TURBOMOLE Modules => Escf and Egrad => Topic started by: liberato on November 12, 2015, 01:03:55 PM

Title: Transition moments between pairs of excitations
Post by: liberato on November 12, 2015, 01:03:55 PM

Hi, I was wondering if it is possible (and how) to obtain transition moments between pairs of excitations at a TDDFT level.

Best,
E.

Title: Re: Transition moments between pairs of excitations
Post by: christof.haettig on November 20, 2015, 03:52:19 PM

Not that I'm aware of.

But you can do it at the CC2 level with ricc2.

Christof