telescoping initial guesses for CC

devinamatthews / aquarius

Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor operations. Aquarius is primarily focused on iterative methods such as CC, CI, and EOMCC.

BSD 3-Clause "New" or "Revised" License

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telescoping initial guesses for CC #20

Open jeffhammond opened 7 years ago

jeffhammond commented 7 years ago

All the iterative CC methods appear to use MP2 as an initial guess. I'd really like to be able to telescope out e.g. MP2 ➡️ CCSD ➡️ CCSDT ➡️ CCSDTQ.

Any chance this is implemented already? If not, this issue serves as a feature request. I'll try to implement it over the holiday if I can find time.