Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.92552
HF
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.9201002913hartree
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
- 2026-08-01T17:00:24+00:00
- Wall time (s)
- 612.146
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)
- 0.00548407
- Signed error (Ha)
- 0.00548407
- Total QPU time (s)
- 60
- Calibration time
- 2026-08-01T16:24:21+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
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 | -1.9250121070 | 30.511 | 3 | [0.0] |
| 2 | succeeded | -0.9626724900 | 30.5652 | 3 | [1.0] |
| 3 | succeeded | -1.0022493830 | 30.4924 | 3 | [-1.0] |
| 4 | succeeded | -1.6034590022 | 30.4697 | 3 | [0.49999999999999994] |
| 5 | succeeded | -1.8342690645 | 30.5361 | 3 | [-0.24999999999999994] |
| 6 | succeeded | -1.8982304865 | 30.508 | 3 | [0.1] |
| 7 | succeeded | -1.9191668272 | 30.4618 | 3 | [-0.1] |
| 8 | succeeded | -1.9155407884 | 30.5421 | 3 | [0.05] |
| 9 | succeeded | -1.9224553630 | 30.704 | 3 | [-0.02500000000000001] |
| 10 | succeeded | -1.9222429851 | 30.5187 | 3 | [0.010000000000000002] |
| 11 | succeeded | -1.9231163623 | 30.525 | 3 | [-0.010000000000000002] |
| 12 | succeeded | -1.9210082396 | 30.4954 | 3 | [0.005000000000000001] |
| 13 | succeeded | -1.9201002913 | 30.5561 | 3 | [-0.002500000000000001] |
| 14 | succeeded | -1.9236102605 | 30.4902 | 3 | [0.001] |
| 15 | succeeded | -1.9255150605 | 30.5491 | 3 | [-0.0009999999999999998] |
| 16 | succeeded | -1.9233542560 | 30.511 | 3 | [-0.002] |
| 17 | succeeded | -1.9220668286 | 30.4933 | 3 | [-0.0004999999999999998] |
| 18 | succeeded | -1.9231690442 | 30.6206 | 3 | [-0.0012499999999999998] |
| 19 | succeeded | -1.9237954723 | 30.4506 | 3 | [-0.0008999999999999998] |
| 20 | succeeded | -1.9201002913 | 30.5138 | 3 | [-0.0010999999999999998] |
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 | -1.9151059956 | -1.9188836565 | -1.9091398731 | 5.83333 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.9162699484 | -1.9205941894 | -1.9107977241 | 8.33333 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.9138608788 | -1.9190071311 | -1.9074202849 | 5.83333 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.9172770064 | -1.9229928877 | -1.9123321006 | 8.33333 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.