Quantum Residual Exploration for Selected Configuration Interaction

Abstract

We propose a modular hybrid quantum-classical method to improve selected configuration interaction at a fixed final determinant budget. Quantum measurements supply complementary determinants, accepted only when they outrank classical candidates under a common energetic criterion. This targets multistep excitations that perturbative discovery may miss in strongly correlated systems. A demonstration on the Quantinuum Reimei trapped-ion quantum computer shows that measured proposals for H${}_{12}$ at a stretched geometry lower the variational energy relative to classical-only selection at the same final determinant budget.

arXiv comment19 pages, 10 figures; includes End Matter and Supplemental Material