A Quantum-HPC Hybrid Workflow for Reaction-Center Electronic Dynamics: Application to a Cytochrome P450-Inspired Iron-Complex Model

arXiv:2607.05786v1 Announce Type: new Abstract: We introduce population-transfer dynamics as a practical validation observable for active-space-derived reduced Hamiltonians in multistate reaction-center chemistry. Using a cytochrome P450-inspired Fe-complex model, we construct a reaction-coordinate