Table 1 Total energies in Hartree for LiH using the 1 COVO basis set for VQE simulations and hardware calculations on the Quantinuum H1-1 quantum computer. A simple-cubic supercell (L=15.0 Ã…) was used. Values in parenthesis are error relative to FCI
From: Periodic plane-wave electronic structure calculations on quantum computers
R(Li-H) | FCI | Simulator w/o | Simulator w/ | H1-1 w/o | H1-1 w/ |
|---|---|---|---|---|---|
(Ã…) | Â | Mitigation | Mitigation | Mitigation | Mitigation |
| Â | Â | (error) | (error) | (error) | (error) |
1.7 | -0.76044 | -0.76434 | -0.76547 | -0.75506 | -0.75786 |
| Â | Â | (-0.00390) | (-0.00503) | (-0.00539) | (-0.00258) |
3 | -0.70928 | -0.70946 | -0.71135 | -0.69688 | -0.69837 |
| Â | Â | (-0.00018) | (-0.00207) | (-0.01241) | (-0.01091) |
7 | -0.64801 | -0.64623 | -0.64747 | -0.6433 | -0.64433 |
| Â | Â | (-0.00178) | (-0.00053) | (-0.0047) | (-0.00367) |