TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: quantmx on August 11, 2009, 03:51:35 PM

Title: Symmetry variation in the excited-state calculations
Post by: quantmx on August 11, 2009, 03:51:35 PM

Is there a way to impose specific symmtry of excited state in the CC2 calculations?

Greetings,
Max

Title: Re: Symmetry variation in the excited-state calculations
Post by: christof.haettig on September 28, 2009, 11:12:35 AM

Yes. You specify the symmetry for the excited state. It's described in the manual.
Christof