CCSDTQ(P)

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1 month 1 day ago - 1 month 12 hours ago #1269 by mansoori
CCSDTQ(P) was created by mansoori
Hello,

I want to do CCSDTQ(P) calculations by both the restricted and unrestricted methods.
I am using:
mrcc,method=RCC(n-1)(n),excitation=5,restart=1
and
mrcc,method=CC(n-1)(n),excitation=5,restart=1
but I am not sure what else I should add so that the program considers (P) as well as CCSDTQ.
Could you please help. Thank you.
Last edit: 1 month 12 hours ago by mansoori.

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