EA-EOMCC methods

From NWChem

Viewed 2412 times, With a total of 1 Posts
Jump to: navigation, search

  • Guest -
    Send PM
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 -
    Send PM
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


Forum >> NWChem's corner >> NWChem functionality



Who's here now Members 0 Guests 1 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC