Is CCSD(Λ)_T available at psi 4 J. Chem. Phys. 136, 204114 (2012); https://doi.org/10.1063/1.4720382

is CCSD(Λ)_T available at psi 4 J. Chem. Phys. 136, 204114 (2012); https://doi.org/10.1063/1.4720382

expression E(T) of eqn 39 of the paper by Ug ̆ur Bozkaya and Henry F. Schaefer III .
i am aware that CCSD(T)_Λ version is available with the keyword CCSD(aT) which I am able to reproduce with our code for all bond length. However, unsuccessful to obtain CCSD(Λ)_T values.
If CCSD(Λ)_T is available then I will be able to test for other atoms or molecules. Kindly let me know.

I think we only have the one asymmetric triples correction, but @bozkaya would know for sure.

Hi,

The density-fitted version of the CCSD(Lambda)_T is available in the DFOCC module, as described in J. Chem. Phys. 144, 144108 (2016); https://doi.org/10.1063/1.4945706.

The DF-CCSD(Lambda)_T code can be access via ccsd(at) call method: energy(‘ccsd(at)’) .

Best regards,

@hmdrpthk @jmisiewicz