ROKS with HFX using ADMM basis sets

Xiaoming Wang wxia... at gmail.com
Sat Sep 23 20:23:31 UTC 2017


Hi,

I want to calculate the excited singlet state with HFX for which I am using 
ADMM basis sets, but was told that the combination of ROKS and ADMM is not 
implemented. Any work around over this?

Best,
Xiaoming 
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