
handle: 10722/231081
I will describe some of our recent progress and results in some long-standing challenges of quantum chemistry: the electronic structure of iron-sulfur clusters, excited states of conjugated systems, and the prediction of molecular crystal binding energies. Our work will draw on the latest advances both in coupled cluster theory, low-order scaling algorithms, and the density matrix renormalization group. These applications provide a window into the current limits of ab initio quantum methodology.
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