CCSDTQ(P)
4 months 3 weeks ago - 4 months 3 weeks ago #1269
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.
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: 4 months 3 weeks ago by mansoori.
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