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

Mar22-13, 08:28 AM

#1

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