Nesting a small coupled cluster treatment inside a new Aufbau suppressed second-order perturbation theory reproduces about 0.1 eV charge transfer excitation accuracy at non-iterative N^5 plus iterative N^3 cost.
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Fast and Accurate Charge Transfer Excitations via Nested Aufbau Suppressed Coupled Cluster
Nesting a small coupled cluster treatment inside a new Aufbau suppressed second-order perturbation theory reproduces about 0.1 eV charge transfer excitation accuracy at non-iterative N^5 plus iterative N^3 cost.