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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