O_2

The 'O$_2$' dataset/benchmark contains molecular data used to evaluate the performance of quantum eigensolvers and methods for calculating singlet-triplet energy gaps in open-shell systems.

Papers using O_2 (3)

Open-shell frozen natural orbital approach for quantum eigensolvers2025Electronic Structure Theory with Molecular Point Group Symmetries on Quantum Annealers2025Optimizing Jastrow factors for the transcorrelated method2023 · 23 cites