MRCC can do arbitrary order coupled cluster but much of the code is computer-generated (not hand-coded by a human) so it can be slow. There are some stochastic codes for high-order coupled cluster, but as my question states, I am looking for a deterministic code that can be an alternative to MRCC.

  • 1
    $\begingroup$ I had performed a similar search and found nothing. Many programs capable to compute CCSDTQP do this by calling MRCC (for CCSDTQ is different). If you look for extreme precision maybe you can success by following other approaches, like selected CI or similar. $\endgroup$ Sep 30 '19 at 19:58

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Browse other questions tagged or ask your own question.