Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.91422
HF
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_pittsburgh
Final energy-1.8915406460hartree
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
- 2026-07-31T16:21:02+00:00
- Wall time (s)
- 19655
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)
- 0.0340437
- Signed error (Ha)
- 0.0340437
- Total QPU time (s)
- 69
- Calibration time
- 2026-07-30T18:47:42+00:00
- Mean readout error
- 0.010009765625
- 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
23 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 | -1.8997484026 | 5894.51 | 3 | [0.0] |
| 2 | succeeded | -0.9296315396 | 61.3798 | 3 | [1.0] |
| 3 | succeeded | -1.0959228939 | 61.6281 | 3 | [-1.0] |
| 4 | succeeded | -1.5529497042 | 122.309 | 3 | [0.5] |
| 5 | succeeded | -1.8734294100 | 516.562 | 3 | [-0.25] |
| 6 | succeeded | -1.8707714064 | 304.97 | 3 | [0.1] |
| 7 | succeeded | -1.9104635220 | 122.068 | 3 | [-0.1] |
| 8 | succeeded | -1.8821146044 | 152.904 | 3 | [-0.2] |
| 9 | succeeded | -1.9066358111 | 274.221 | 3 | [-0.049999999999999996] |
| 10 | succeeded | -1.9107195265 | 6407.59 | 3 | [-0.125] |
| 11 | succeeded | -1.9142204403 | 649.727 | 3 | [-0.15] |
| 12 | succeeded | -1.8734022438 | 365.273 | 3 | [-0.2] |
| 13 | succeeded | -1.8987005193 | 849.928 | 3 | [-0.12499999999999999] |
| 14 | succeeded | -1.9001822139 | 122.928 | 3 | [-0.16] |
| 15 | succeeded | -1.8957642964 | 940.956 | 3 | [-0.13999999999999999] |
| 16 | succeeded | -1.9047236060 | 1063.05 | 3 | [-0.155] |
| 17 | succeeded | -1.8903676378 | 456.499 | 3 | [-0.1475] |
| 18 | succeeded | -1.8914171715 | 213.727 | 3 | [-0.151] |
| 19 | succeeded | -1.9029422804 | 243.429 | 3 | [-0.149] |
| 20 | succeeded | -1.9020689032 | 213.396 | 3 | [-0.1505] |
| 21 | succeeded | -1.9018310095 | 183.474 | 3 | [-0.14975] |
| 22 | succeeded | -1.9025101195 | 182.968 | 3 | [-0.15009999999999998] |
| 23 | succeeded | -1.8915406460 | 243.934 | 3 | [-0.1499] |
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 | -1.8926833610 | -1.9046001314 | -1.8825286545 | 5.625 |
| theta_best | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.8935650398 | -1.8985334183 | -1.8820347563 | 6.125 |
| theta_best | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.8985273814 | -1.9069897743 | -1.8921489634 | 2.625 |
| theta_best | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.9030112697 | -1.9062981194 | -1.8981820877 | 6 |
| theta_best | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.9086850411 | -1.9164715181 | -1.8978279117 | 9.375 |
| theta_final | EPOCH-0D3257EA32142E89 | 1024 | 0 | 10 | -1.8930732114 | -1.9104289509 | -1.8763384668 | 5.625 |
| theta_final | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.8872474967 | -1.9039300768 | -1.8692839573 | 6.125 |
| theta_final | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.8900413908 | -1.8982156765 | -1.8855883520 | 2.625 |
| theta_final | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.9050510455 | -1.9147480748 | -1.8983924405 | 6 |
| theta_final | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.9029651669 | -1.9050261621 | -1.8988995427 | 9.375 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.