How to get excitedstate dipole moment by TDDFT calculation?by linwenzi Tags: calculation, dipole, excitedstate, moment, tddft 

#1
Mar2213, 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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