Author Topic: ricc2 and cosmo solvation model  (Read 7446 times)

oliver

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ricc2 and cosmo solvation model
« 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

christof.haettig

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Re: ricc2 and cosmo solvation model
« Reply #1 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