[CP2K-user] [CP2K:20810] Configuration Interaction Singles in CP2K?

Michela Benazzi bnzmichela at gmail.com
Thu Oct 24 14:34:45 UTC 2024


Hello everyone,

as the title states, I was wondering if you have any suggestions for 
evaluating CIS (https://manual.q-chem.com/5.2/Ch7.S2.SS1.html) in CP2K.

Thank you :)

Michela

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