Fig. 6

VQE simulations and calculations on the Quantinuum H1-1 quantum computer. Red triangles correspond to energies obtained with the H1-1 quantum computer simulator, while the blue squares correspond to the energies obtained using the H1-1 quantum computer. Open triangles and square are used to represent energies before error mitigation, while the filled shapes are the error corrected values. We note both the quantum computer and simulator results are very good, and error mitigation has very little effect on the overall results. The energies are plotted with the FCI potential energy curve, given by the solid black line. A simple-cubic supercell (L=15.0 Å) was used