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Downfolding coupled cluster (CC) techniques are powerful tools for reducingthe dimensionality of many-body quantum problems. This work investigates howground-state downfolding formalisms can target excited states using non-Aufbaureference determinants, paving the way for applications of quantum computing inexcited-state chemistry. This study focuses on doubly excited states for whichcanonical equation-of-motion CC approaches struggle to describe unless oneincludes higher-than-double excitations. The downfolding technique results instate-specific effective Hamiltonians that, when diagonalized in theirrespective active spaces, provide ground- and excited-state total energies (andtherefore excitation energies) comparable to high-level CC methods. Theperformance of this procedure is examined with doubly excited states ofH$_{2}$, Methylene, Formaldehyde, and Nitroxyl.

Excited-State Downfolding Using Ground-State Formalisms