Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.92816
HF
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.9217671976hartree
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_aachen
- Resource type
- quantum processor
- Processor family
- Heron
- Processor model
- ibm_aachen
- Processor revision
- 3
- Qubits
- 156
- Connectivity
- Not recorded
- Runtime execution
- single-job
- Shots
- 1024
- Precision
- 0.03125
- Resilience
- 0
- Submitted
- 2026-08-01T19:22:59+00:00
- Wall time (s)
- 1251.74
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)
- 0.00381716
- Signed error (Ha)
- 0.00381716
- Total QPU time (s)
- 75
- Calibration time
- 2026-08-01T18:46:17+00:00
- Mean readout error
- 0.003173828125
- 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 | -1.9224281969 | 30.7515 | 3 | [0.0] |
| 2 | succeeded | -0.9776985128 | 30.6558 | 3 | [1.0] |
| 3 | succeeded | -1.0276892439 | 30.6083 | 3 | [-0.9999999999999999] |
| 4 | succeeded | -1.5976392382 | 30.7143 | 3 | [0.5] |
| 5 | succeeded | -1.8530157840 | 30.6208 | 3 | [-0.25] |
| 6 | succeeded | -1.9046058860 | 30.5927 | 3 | [0.10000000000000002] |
| 7 | succeeded | -1.9165302352 | 30.6316 | 3 | [-0.10000000000000002] |
| 8 | succeeded | -1.9164051102 | 30.7483 | 3 | [0.05000000000000001] |
| 9 | succeeded | -1.9251355815 | 30.6926 | 3 | [-0.0125] |
| 10 | succeeded | -1.9197479784 | 30.6017 | 3 | [-0.037500000000000006] |
| 11 | succeeded | -1.9219342987 | 30.7293 | 3 | [-0.0024999999999999988] |
| 12 | succeeded | -1.9209119312 | 30.6127 | 3 | [-0.022500000000000003] |
| 13 | succeeded | -1.9256294797 | 30.6083 | 3 | [-0.007499999999999999] |
| 14 | succeeded | -1.9256912170 | 30.6387 | 3 | [-0.002499999999999998] |
| 15 | succeeded | -1.9239008361 | 30.6336 | 3 | [0.002500000000000004] |
| 16 | succeeded | -1.9261233779 | 30.6425 | 3 | [-0.004999999999999998] |
| 17 | succeeded | -1.9245272642 | 30.632 | 3 | [-0.007499999999999999] |
| 18 | succeeded | -1.9268024879 | 513.47 | 3 | [-0.003999999999999998] |
| 19 | succeeded | -1.9245799461 | 30.5726 | 3 | [-0.0019999999999999987] |
| 20 | succeeded | -1.9228076759 | 30.5577 | 3 | [-0.004999999999999998] |
| 21 | succeeded | -1.9209209866 | 30.6274 | 3 | [-0.0034999999999999983] |
| 22 | succeeded | -1.9264411196 | 30.7614 | 3 | [-0.004249999999999999] |
| 23 | succeeded | -1.9238481542 | 30.7723 | 3 | [-0.0038999999999999985] |
| 24 | succeeded | -1.9281607079 | 30.6043 | 3 | [-0.004099999999999999] |
| 25 | succeeded | -1.9217671976 | 30.5904 | 3 | [-0.004199999999999999] |
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-981D79BDF527D935 | 1024 | 0 | 10 | -1.9133662401 | -1.9222701512 | -1.8990783480 | 5.83333 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.9157478982 | -1.9251355815 | -1.9120760961 | 8.33333 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.9155205408 | -1.9185840256 | -1.9091308177 | 5.83333 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.9166783199 | -1.9212732994 | -1.9091308177 | 8.33333 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.