Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.03617
LiH
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_pittsburgh
Final energy-1.0347901230hartree
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
- 2026-08-01T12:19:31+00:00
- Wall time (s)
- 815.033
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)
- 0.0184328
- Signed error (Ha)
- 0.0184328
- Total QPU time (s)
- 60
- Calibration time
- 2026-08-01T11:20:02+00:00
- Mean readout error
- 0.00738525390625
- Mean two-qubit gate error
- 0.0017540690567794115
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
20 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 | -1.0348899675 | 32.4865 | 3 | [0.0] |
| 2 | succeeded | -0.6155921494 | 31.3252 | 3 | [1.0] |
| 3 | succeeded | -0.6094327732 | 31.4306 | 3 | [-0.9999999999999999] |
| 4 | succeeded | -0.9002702516 | 31.4298 | 3 | [0.5] |
| 5 | succeeded | -0.9890869826 | 31.4293 | 3 | [-0.25] |
| 6 | succeeded | -1.0296946126 | 31.2562 | 3 | [0.1] |
| 7 | succeeded | -1.0247135313 | 31.4102 | 3 | [-0.10000000000000002] |
| 8 | succeeded | -1.0361718796 | 61.8442 | 3 | [0.049999999999999996] |
| 9 | succeeded | -1.0256339113 | 31.0846 | 3 | [0.09999999999999999] |
| 10 | succeeded | -1.0349044622 | 31.4849 | 3 | [0.024999999999999998] |
| 11 | succeeded | -1.0352406080 | 91.9917 | 3 | [0.06] |
| 12 | succeeded | -1.0127954016 | 92.1261 | 3 | [0.039999999999999994] |
| 13 | succeeded | -1.0337674047 | 31.5059 | 3 | [0.05499999999999999] |
| 14 | succeeded | -1.0297586345 | 31.5315 | 3 | [0.047499999999999994] |
| 15 | succeeded | -1.0331023492 | 31.0842 | 3 | [0.051] |
| 16 | succeeded | -1.0318754322 | 31.1213 | 3 | [0.048999999999999995] |
| 17 | succeeded | -1.0301385174 | 31.2038 | 3 | [0.050499999999999996] |
| 18 | succeeded | -1.0299333191 | 61.5353 | 3 | [0.049749999999999996] |
| 19 | succeeded | -1.0321931829 | 31.4624 | 3 | [0.0501] |
| 20 | succeeded | -1.0347901230 | 31.0691 | 3 | [0.04989999999999999] |
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 | -1.0398103922 | -1.0423630524 | -1.0364207938 | 11.125 |
| theta_best | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.0407543430 | -1.0432724467 | -1.0367767928 | 9.625 |
| theta_best | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.0424065245 | -1.0426265232 | -1.0420960862 | 4.125 |
| theta_best | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.0414218738 | -1.0421802295 | -1.0402494133 | 7.5 |
| theta_best | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.0429457679 | -1.0462829739 | -1.0387658535 | 15 |
| theta_final | EPOCH-0D3257EA32142E89 | 1024 | 0 | 10 | -1.0397107202 | -1.0417850166 | -1.0376842608 | 11.125 |
| theta_final | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.0406064417 | -1.0439455045 | -1.0376434092 | 9.625 |
| theta_final | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.0413638658 | -1.0442213365 | -1.0360343032 | 4.125 |
| theta_final | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.0400009277 | -1.0427576543 | -1.0375016119 | 7.5 |
| theta_final | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.0488143257 | -1.0547966712 | -1.0435051218 | 15 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.