Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.04946
LiH
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.0461195336hartree
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
- 2026-07-30T19:17:24+00:00
- Wall time (s)
- 820.095
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
- 2
- Physical qubits
- 2
- Parameters
- 1
- Depth
- 43
- Two-qubit gates
- 4
- Hamiltonian terms
- 9
Scientific provenance
- Cohort
- primary heron
- Reference method
- CASCI
- Reference energy (Ha)
- -1.0532229194242344
- Energy convention
- Qiskit Nature active-space qubit Hamiltonian; nuclear and inactive-space constants excluded
- Absolute error (Ha)
- 0.00710339
- Signed error (Ha)
- 0.00710339
- Total QPU time (s)
- 60
- Calibration time
- 2026-07-30T18:52:37+00:00
- Mean readout error
- 0.004638671875
- Mean two-qubit gate error
- 0.000794171693936474
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 |
|---|---|---|---|
| Li | 0 | 0 | 0 |
| H | 0 | 0 | 1.6204 |
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
21 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 | -1.0473459130 | 6.76688 | 3 | [0.0] |
| 2 | succeeded | -0.5689502577 | 6.12015 | 3 | [1.0] |
| 3 | succeeded | -0.5841686667 | 6.83953 | 3 | [-0.9999999999999999] |
| 4 | succeeded | -0.8879342781 | 5.90982 | 3 | [0.49999999999999994] |
| 5 | succeeded | -1.0085570420 | 6.24394 | 3 | [-0.24999999999999997] |
| 6 | succeeded | -1.0382404403 | 6.65693 | 3 | [0.1] |
| 7 | succeeded | -1.0393908588 | 6.53433 | 3 | [-0.10000000000000002] |
| 8 | succeeded | -1.0469949360 | 6.0549 | 3 | [0.05000000000000001] |
| 9 | succeeded | -1.0494056533 | 5.87964 | 3 | [-0.0125] |
| 10 | succeeded | -1.0480459731 | 6.66108 | 3 | [-0.037500000000000006] |
| 11 | succeeded | -1.0479978956 | 6.67605 | 3 | [-0.0024999999999999988] |
| 12 | succeeded | -1.0494637598 | 5.96082 | 3 | [-0.022500000000000003] |
| 13 | succeeded | -1.0481950849 | 6.5573 | 3 | [-0.0325] |
| 14 | succeeded | -1.0483411000 | 6.20289 | 3 | [-0.0175] |
| 15 | succeeded | -1.0459161760 | 6.53124 | 3 | [-0.025000000000000005] |
| 16 | succeeded | -1.0482819559 | 6.21402 | 3 | [-0.021500000000000002] |
| 17 | succeeded | -1.0473300475 | 6.04699 | 0 | [-0.023500000000000004] |
| 18 | succeeded | -1.0448933116 | 6.04824 | 3 | [-0.022000000000000002] |
| 19 | succeeded | -1.0475420468 | 6.07492 | 3 | [-0.022750000000000003] |
| 20 | succeeded | -1.0487318224 | 676.565 | 3 | [-0.022400000000000003] |
| 21 | succeeded | -1.0461195336 | 21.0258 | 3 | [-0.022600000000000002] |
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 | -1.0456524490 | -1.0475067091 | -1.0430257365 | 11.125 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.0463989404 | -1.0493338162 | -1.0438430562 | 13.75 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.0454534477 | -1.0483329824 | -1.0420430548 | 11.125 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.0463811222 | -1.0479405571 | -1.0437967073 | 13.75 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.