Transition dipole moment

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Maksim Shundalau

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Feb 22, 2021, 3:05:30 PM2/22/21

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Dear Dirac experts,

Maybe my question is trivial, but I can’t understand how to calculate transition dipole moments at the FS-CCSD level of theory. Should I use linear response theory or finite field method? Or something else? Could you please suggest a test, example, or some instructions for solving this problem?

Sincerely yours,

Maksim.

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