How to get excited-state dipole moment by TDDFT calculation?


by linwenzi
Tags: calculation, dipole, excitedstate, moment, tddft
linwenzi
linwenzi is offline
#1
Mar22-13, 08:28 AM
P: 8
I did DFT and TDDFT calculations of a small molecule and got its ground state dipole moment and transition dipole moment.
How to get its excited state dipole moment?

With many thanks!
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