[CP2K-user] [CP2K:20461] Can we add the Herzberg-Teller Effect to the CP2K calculation?

Zac Smith qingxinzhang6 at gmail.com
Thu Jul 18 13:28:06 UTC 2024


Dear CP2K community,
I'm currently working on the calculation of the radiative rate. Comparing 
the radiative rate using Einstein's formula to the radiative rate with the 
addition of the Herzberg-Telle effect. Can we add the Herzberg-Teller 
Effect to the CP2K calculation?


Have a good day
Zac

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