[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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