New Paper in JCTC

Dylan’s implementation and benchmarking of the (T) correction to multicomponent coupled-cluster theory has been published in JCTC! It shouldn’t be a surprise, but we show that multicomponent CCSD(T) is much more accurate for proton affinities and absolute energies than multicomponent CCSD. There is also some interesting some discussion of appropriate electronic basis sets for multicomponent calculations that we will address more in a preprint that should be posted in a couple of weeks.

Paper is here: .

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