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Question on TDDFT/PCM
Fumihito Mohri
qzg00677@nifty.com
Dear Firefly users,
I have questions on TDDFT/PCM in Firefly8.2.0. When a vertical excitation or emission calculation is carried out with TDDFT under PCM such as $PCM SOLVNT=WATER $END, is non-equilibrium calculation for the solvent (here, water) done? Best regards,
F. Mohri
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Sun Aug 16 '20 4:32pm
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