Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.9236
HF
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.9198533422hartree
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
- 2026-08-01T10:18:09+00:00
- Wall time (s)
- 6546.53
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)
- 0.00573102
- Signed error (Ha)
- 0.00573102
- Total QPU time (s)
- 66
- Calibration time
- 2026-08-01T08:18:03+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
22 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 | -1.9228076759 | 61.2506 | 3 | [0.0] |
| 2 | succeeded | -0.9840739123 | 91.636 | 3 | [1.0] |
| 3 | succeeded | -0.9988192619 | 31.0822 | 3 | [-0.9999999999999999] |
| 4 | succeeded | -1.6249221618 | 61.3437 | 3 | [0.5] |
| 5 | succeeded | -1.8446211653 | 30.9881 | 3 | [-0.25] |
| 6 | succeeded | -1.9049145724 | 61.2493 | 3 | [0.1] |
| 7 | succeeded | -1.9128531649 | 121.809 | 3 | [-0.1] |
| 8 | succeeded | -1.9162380092 | 61.0998 | 3 | [0.05] |
| 9 | succeeded | -1.9201710839 | 61.2671 | 3 | [-0.024999999999999998] |
| 10 | succeeded | -1.9211588803 | 1532.55 | 3 | [0.010000000000000004] |
| 11 | succeeded | -1.9226842014 | 2845.61 | 3 | [-0.010000000000000002] |
| 12 | succeeded | -1.9231073069 | 878.23 | 3 | [0.005000000000000001] |
| 13 | succeeded | -1.9205324522 | 91.6409 | 3 | [0.015000000000000003] |
| 14 | succeeded | -1.9196681303 | 91.8448 | 3 | [0.0] |
| 15 | succeeded | -1.9231690442 | 91.562 | 3 | [0.0075000000000000015] |
| 16 | succeeded | -1.9211407695 | 31.1408 | 3 | [0.0085] |
| 17 | succeeded | -1.9198006603 | 61.2785 | 3 | [0.0065000000000000014] |
| 18 | succeeded | -1.9186276521 | 61.2192 | 3 | [0.008000000000000002] |
| 19 | succeeded | -1.9226134087 | 61.3891 | 3 | [0.007250000000000001] |
| 20 | succeeded | -1.9174636993 | 91.5415 | 3 | [0.007600000000000002] |
| 21 | succeeded | -1.9236012051 | 61.3611 | 3 | [0.007400000000000001] |
| 22 | succeeded | -1.9198533422 | 61.2313 | 3 | [0.007300000000000001] |
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 | -1.9123733406 | -1.9199241348 | -1.9040428456 | 5.83333 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.9154241477 | -1.9221903032 | -1.9086896015 | 8.33333 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.9133362770 | -1.9183988137 | -1.9050306420 | 5.83333 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.9172416101 | -1.9216964050 | -1.9133635235 | 8.33333 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.