How to do TDDFT calculations in solvent?


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4:12:00 AM PST - Fri, Dec 6th 2013
Dear all,

I have a question about using solvent implicit models for TDDFT calculations.

If the non-equilibrium PCM/TDDFT implemented in NWchem?

Thanks in advance for any comment or suggestion.

Yavar
Computational and Theoretical Physics Group, AEOI, Tehran, Iran