TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: oliver on October 03, 2007, 07:00:42 PM

Title: ricc2 and cosmo solvation model
Post by: oliver on October 03, 2007, 07:00:42 PM

Dear Turbomole Team,

I'm interested in calculations of excitation energies in different solvents
and my question is as follows: is it possible to perform RI-CC2 calculations
employing a COSMO solvatation model in Turbomole 5.9 version ?
Many thanks in advance.

Oliver

Title: Re: ricc2 and cosmo solvation model
Post by: christof.haettig on November 16, 2007, 06:06:57 PM

No. In TURBOMOLE COSMO can presently only be used at the Hartree-Fock and
DFT level and with mpgrad and rimp2 at the MP2 level.

Christof