Root-following algorithm in EOM?

Does Q-Chem have any sort of root-following procedure available during geometry optimizations with EOM methods?

We have a pretty standard case where two excited states cross, but optimizing “state #3” just leads to oscillations as these states alternate identities.


Short answer - not yet, but I was thinking of implementing it (should be simple, I know exactly what to do, but need time). Can you please create a ticket with feature request on Trac and upload the input of your example?