Predicting molecular vibronic spectra using time-domain analog quantum simulation.

• DOI: 10.48550/arxiv.2209.06558
• Publication Date: 2023-01-01
• Authors: Ryan J. MacDonell; Tomas Navickas; Tim F. Wohlers-Re...; Christophe H. Valahu; Arjun D. Rao; Maverick J. Millican; Michael A. Currin...; Michael J. Biercuk; Ting Rei Tan; Cornelius Hempel; Ivan Kassal
• Keywords: Chemical Physics (physics.chem-ph); Quantum Physics; Chemistry; Physics - Chemical Physics; FOS: Physical sciences; Quantum Physics (quant-ph)

Analog quantum computers can calculate molecular vibronic spectra using time-domain simulation, with exponentially greater scalability than previous, frequency-domain approaches. An accurate, trapped-ion simulation of SO2 validates the approach.