Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor

Understand

The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices.

• An important ramification is to determine the dominant molecular fragmentation pathways in photo-dissociation experiments of light-sensitive compounds, like sulfonium-based photo-acid generators used in photolithography.
• Here we simulate the static and dynamic electronic structure of the H$_3$S$^+$ molecule, taken as a minimal model of a triply-bonded sulfur cation, on a superconducting quantum processor of the IBM Falcon architecture.
• To this end, we generalize a qubit reduction technique termed entanglement forging or EF [A.