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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