Author Topic: tddft with cosmo... is that possible?  (Read 7674 times)

Matteo Guglielmi

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tddft with cosmo... is that possible?
« on: May 01, 2008, 04:13:11 PM »
Dear All,

Is it possible to compute excitations energies
via tddft including solvation effects with cosmo?


Thanks.

Pekka

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Re: tddft with cosmo... is that possible?
« Reply #1 on: May 28, 2008, 01:42:44 PM »
Yes it is.

-Pekka

mpjohans

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Re: tddft with cosmo... is that possible?
« Reply #2 on: November 26, 2010, 01:20:33 PM »
Mmm, just a small comment on an old thread: It is "possible" in the sense that TM doesn't complain. COSMO is not implemented for TDDFT, though, so you will misleadingly only do a normal gas-phase TDDFT on top of COSMO orbitals (at least up to the present release V6-2). How much of solvation effects this includes, if any, I don't know. Might be that it only produces crap.