[DFTB-Plus-User] Implicit solvent models

[Sharma SRK Chaitanya Yamijala]

Dear all,

Is there any way to incorporate the solvation effects (implicitly) in
DFTB+? I am trying to simulate donor-acceptor complexes (thiophene and
fullerene). While simulating the charge-transfer state (based on the
energies obtained using DFTB+) we are not getting expected results. So, we
would like to incorporate the dielectric environment and give a try. Any
suggestions?

Maybe, irrelevant to this thread: When we can expect the new release of
DFTB+ (I mean the month or year)? And, does it include the Solvent
corrections and TDDFTB?

Thanking you,
Sincerely,
Sharma.






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Sharma
http://www.chem.rochester.edu/groups/huo/people/
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