Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.03462
LiH
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_pittsburgh
Final energy-1.0298641556hartree
Shots1024
Runtime executionsingle-job
Resilience0
MappingPT
Active space2e2o
Parity mapping with full symmetry tapering · Shots and precision · Resilience settings
Execution
- Mode
- hardware
- Provider
- IBM Quantum
- Compute resource
- ibm_pittsburgh
- Resource type
- quantum processor
- Processor family
- Heron
- Processor model
- ibm_pittsburgh
- Processor revision
- 3
- Qubits
- 156
- Connectivity
- Not recorded
- Runtime execution
- single-job
- Shots
- 1024
- Precision
- 0.03125
- Resilience
- 0
- Submitted
- 2026-08-02T18:26:32+00:00
- Wall time (s)
- 998.446
Molecular system
- Charge
- 0
- Multiplicity
- 1
- Basis
- sto3g
- Active space
- 2e2o
- Active electrons
- 2
- Spatial orbitals
- 2
- Active orbital indices
- Not recorded
- Geometry units
- angstrom
Circuit
- Logical qubits
- 2
- Physical qubits
- 2
- Parameters
- 1
- Depth
- 43
- Two-qubit gates
- 4
- Hamiltonian terms
- 9
Scientific provenance
- Cohort
- primary heron
- Reference method
- CASCI
- Reference energy (Ha)
- -1.0532229194242344
- Energy convention
- Qiskit Nature active-space qubit Hamiltonian; nuclear and inactive-space constants excluded
- Absolute error (Ha)
- 0.0233588
- Signed error (Ha)
- 0.0233588
- Total QPU time (s)
- 72
- Calibration time
- 2026-08-02T17:28:21+00:00
- Mean readout error
- 0.0057373046875
- Mean two-qubit gate error
- 0.0021747604509655682
Software
- Qiskit
- 1.4.3
- Qiskit Aer
- 0.17.1
- Qiskit Algorithms
- 0.3.1
- Qiskit Ibm Runtime
- 0.40.1
- Qiskit Nature
- 0.7.2
Molecular geometry (angstrom)
| Atom | x | y | z |
|---|---|---|---|
| Li | 0 | 0 | 0 |
| H | 0 | 0 | 1.6204 |
Dataset publication
Associated articles
- The winner's curse in hardware VQE: drift-differenced remeasurement of finite-shot selection bias DOI 10.48550/arXiv.2609.27704 arXiv 2609.27704 published preprint
Compute access
- Fraunhofer Quantum Now and EQeS · IBM Quantum · allocation: Fraunhofer Quantum Now
Optimization trajectory
24 recorded objective evaluations. Charts use cumulative time so convergence cost remains comparable across calculations.
Download trajectory CSV · Download trajectory JSON
| Attempt | Outcome | Energy (Ha) | Elapsed (s) | Quantum (s) | Parameters |
|---|---|---|---|---|---|
| 1 | succeeded | -1.0294027334 | 31.5185 | 3 | [0.0] |
| 2 | succeeded | -0.6243217084 | 31.0221 | 3 | [1.0] |
| 3 | succeeded | -0.5934137428 | 31.2267 | 3 | [-1.0] |
| 4 | succeeded | -0.9149015758 | 61.7453 | 3 | [0.5] |
| 5 | succeeded | -0.9898966058 | 31.2677 | 3 | [-0.25] |
| 6 | succeeded | -1.0277872421 | 61.54 | 3 | [0.09999999999999999] |
| 7 | succeeded | -1.0098064848 | 61.7426 | 3 | [-0.10000000000000002] |
| 8 | succeeded | -1.0309209174 | 30.9356 | 3 | [0.05] |
| 9 | succeeded | -1.0246121305 | 61.5259 | 3 | [0.1] |
| 10 | succeeded | -1.0313511485 | 31.5899 | 3 | [0.024999999999999998] |
| 11 | succeeded | -1.0333832137 | 31.2258 | 3 | [-3.469446951953614e-18] |
| 12 | succeeded | -1.0017451129 | 31.2971 | 3 | [-0.05] |
| 13 | succeeded | -1.0266389201 | 61.6553 | 3 | [0.02499999999999999] |
| 14 | succeeded | -1.0284865455 | 31.5372 | 3 | [-0.010000000000000005] |
| 15 | succeeded | -1.0311328078 | 31.3736 | 3 | [0.009999999999999998] |
| 16 | succeeded | -1.0322401269 | 31.5871 | 3 | [-0.0050000000000000044] |
| 17 | succeeded | -1.0281017671 | 31.4324 | 3 | [0.002499999999999997] |
| 18 | succeeded | -1.0231127906 | 61.4358 | 3 | [-0.0010000000000000035] |
| 19 | succeeded | -1.0269344297 | 61.3289 | 3 | [0.0009999999999999966] |
| 20 | succeeded | -1.0275212837 | 61.491 | 3 | [-0.0005000000000000035] |
| 21 | succeeded | -1.0265163201 | 31.2196 | 3 | [0.00024999999999999654] |
| 22 | succeeded | -1.0297296370 | 31.1119 | 3 | [-0.00010000000000000347] |
| 23 | succeeded | -1.0346217634 | 31.2255 | 3 | [9.999999999999654e-05] |
| 24 | succeeded | -1.0298641556 | 31.0195 | 3 | [0.00019999999999999654] |
Independent fixed-parameter remeasurements
These measurements reevaluate saved parameter vectors without running the optimizer. They are kept separate from the optimization trajectory.
| Vector | Epoch | Shots | Resilience | Measurements | Mean energy (Ha) | Minimum (Ha) | Maximum (Ha) | Allocated QPU time (s) |
|---|---|---|---|---|---|---|---|---|
| theta_best | EPOCH-0D3257EA32142E89 | 1024 | 0 | 10 | -1.0418057755 | -1.0440521423 | -1.0380573454 | 11.125 |
| theta_best | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.0442383912 | -1.0468204497 | -1.0416945652 | 9.625 |
| theta_best | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.0423440827 | -1.0453718377 | -1.0384651881 | 4.125 |
| theta_best | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.0424407990 | -1.0458467507 | -1.0378402343 | 7.5 |
| theta_best | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.0466357305 | -1.0533165823 | -1.0409983388 | 15 |
| theta_final | EPOCH-0D3257EA32142E89 | 1024 | 0 | 10 | -1.0419667091 | -1.0452513331 | -1.0387199526 | 11.125 |
| theta_final | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.0431872285 | -1.0463381345 | -1.0404473178 | 9.625 |
| theta_final | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.0435504038 | -1.0462927894 | -1.0406080669 | 4.125 |
| theta_final | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.0432998501 | -1.0447235860 | -1.0424594249 | 7.5 |
| theta_final | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.0478220848 | -1.0515096591 | -1.0431771746 | 15 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.