EA-EOMCC methods


  • Guest -
1:57:18 PM PST - Tue, Feb 22nd 2011
Hi,

I am new to NWChem and am interested in using the EA-EOMCCSDtq methods, which J. Chem. Theory Comput., 3, 1036 (2007) says are a part of NWChem.
I have been unable to find the documentation for them. Does anyone know where I can find the documentation on how to use them with NWChem? Any help with this will be most appreciated.

Thank you, in advance, for your help.

With kindest regards,
Jared

  • Guest -
12:14:20 PM PST - Wed, Mar 2nd 2011
EA-EOMCCSDtq
Hi Jared,
The EA-EOMCCSDtq is not a part of NWChem. The only active-space EOMCC method available now is the EE-EOMCCSDt.
Best,
Karol


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