CCL: Eqsolv in G09 clarification
- From: "Eli LAM" <elizabeth.shlam!A!gmail.com>
- Subject: CCL: Eqsolv in G09 clarification
- Date: Tue, 1 Jan 2013 22:33:05 -0500
Sent to CCL by: "Eli LAM" [elizabeth.shlam * gmail.com]
Dear CCLers,
I would like to clarify the use of Eqsolv in G09 TD calculations. I have
learnt that it performs equilibrium PCM solvation. Does it mean that if TDDFT
is performed at a relaxed excited state geometry, Eqsolv should be included?
What are the differences between NonEqsolv and Eqsolv for TDDFT performed at
ground state?
Thank you very much!
Best regards,
Eli