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Escf and Egrad
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TDDFT cosmo
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Topic: TDDFT cosmo (Read 7775 times)
jbaltrus
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TDDFT cosmo
«
on:
October 02, 2010, 01:56:30 AM »
Is there a way to calculate solvent effects on excitation energies? Escf claims that it is in developments since the version 6.0 so it's been a while. So is there any other way to calculate TDDFT with COSMO?
thanks
Jonas
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TDDFT cosmo