Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.92584
HF
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_pittsburgh
Final energy-1.9190960345hartree
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
- 2026-08-01T12:33:10+00:00
- Wall time (s)
- 787.913
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
- 1
- Physical qubits
- 1
- Parameters
- 1
- Depth
- 5
- Two-qubit gates
- 0
- Hamiltonian terms
- 3
Scientific provenance
- Cohort
- primary heron
- Reference method
- CASCI
- Reference energy (Ha)
- -1.9255843603191969
- Energy convention
- Qiskit Nature active-space qubit Hamiltonian; nuclear and inactive-space constants excluded
- Absolute error (Ha)
- 0.00648833
- Signed error (Ha)
- 0.00648833
- Total QPU time (s)
- 75
- Calibration time
- 2026-08-01T11:20:02+00:00
- Mean readout error
- 0.010498046875
- Mean two-qubit gate error
- Not recorded
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 |
|---|---|---|---|
| F | 0 | 0 | 0 |
| H | 0 | 0 | 0.9338 |
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
25 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 | -1.9001896189 | 31.4714 | 3 | [0.0] |
| 2 | succeeded | -0.9175507951 | 31.3285 | 3 | [1.0] |
| 3 | succeeded | -1.0902792863 | 31.7386 | 3 | [-0.9999999999999999] |
| 4 | succeeded | -1.5275007880 | 31.5936 | 3 | [0.5] |
| 5 | succeeded | -1.8661987440 | 31.4151 | 3 | [-0.25] |
| 6 | succeeded | -1.8609132038 | 31.0911 | 3 | [0.1] |
| 7 | succeeded | -1.9064777654 | 31.227 | 3 | [-0.10000000000000002] |
| 8 | succeeded | -1.8835872435 | 31.2898 | 3 | [-0.2] |
| 9 | succeeded | -1.8978798240 | 31.04 | 3 | [-0.05000000000000002] |
| 10 | succeeded | -1.9037975469 | 31.2047 | 3 | [-0.12500000000000003] |
| 11 | succeeded | -1.9086821965 | 31.1228 | 3 | [-0.09000000000000001] |
| 12 | succeeded | -1.9096428267 | 31.258 | 3 | [-0.07] |
| 13 | succeeded | -1.9061419129 | 31.0486 | 3 | [-0.05] |
| 14 | succeeded | -1.9094757256 | 31.1605 | 3 | [-0.08000000000000002] |
| 15 | succeeded | -1.9258418577 | 31.5811 | 3 | [-0.065] |
| 16 | succeeded | -1.9130729479 | 31.2505 | 3 | [-0.055] |
| 17 | succeeded | -1.9054191764 | 31.3234 | 3 | [-0.07] |
| 18 | succeeded | -1.9178703444 | 30.9464 | 3 | [-0.06375] |
| 19 | succeeded | -1.9208065674 | 31.3759 | 3 | [-0.0675] |
| 20 | succeeded | -1.9148015915 | 31.3348 | 3 | [-0.064] |
| 21 | succeeded | -1.9110537286 | 30.9714 | 3 | [-0.066] |
| 22 | succeeded | -1.9143694306 | 31.3674 | 3 | [-0.0645] |
| 23 | succeeded | -1.9188490854 | 31.179 | 3 | [-0.06525] |
| 24 | succeeded | -1.9030912707 | 31.5312 | 3 | [-0.0649] |
| 25 | succeeded | -1.9190960345 | 31.4606 | 3 | [-0.0651] |
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 | -1.9118228929 | -1.9198278264 | -1.9063361801 | 5.625 |
| theta_best | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.9073579613 | -1.9162742307 | -1.9001459924 | 6.125 |
| theta_best | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.9058749348 | -1.9114332076 | -1.8987968277 | 2.625 |
| theta_best | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.9272377469 | -1.9320052486 | -1.9217266463 | 6 |
| theta_best | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.9253989479 | -1.9286901723 | -1.9210060068 | 9.375 |
| theta_final | EPOCH-0D3257EA32142E89 | 1024 | 0 | 10 | -1.9105917696 | -1.9141224815 | -1.9063271247 | 5.625 |
| theta_final | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.9059872765 | -1.9132672151 | -1.9027208471 | 6.125 |
| theta_final | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.9037231856 | -1.9070152901 | -1.8993524632 | 2.625 |
| theta_final | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.9256606764 | -1.9319724537 | -1.9214542825 | 6 |
| theta_final | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.9267844501 | -1.9289411441 | -1.9242403600 | 9.375 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.