Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.04911
LiH
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.0446498896hartree
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
- 2026-08-01T16:48:19+00:00
- Wall time (s)
- 716.693
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)
- 0.00857303
- Signed error (Ha)
- 0.00857303
- Total QPU time (s)
- 63
- Calibration time
- 2026-08-01T16:24:21+00:00
- Mean readout error
- 0.002685546875
- Mean two-qubit gate error
- 0.0007467594223772578
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 | -1.0490348691 | 30.9398 | 3 | [0.0] |
| 2 | succeeded | -0.5693659332 | 30.8989 | 3 | [1.0] |
| 3 | succeeded | -0.5952118190 | 31.1238 | 3 | [-1.0] |
| 4 | succeeded | -0.8831237835 | 31.0182 | 3 | [0.5] |
| 5 | succeeded | -1.0059797710 | 30.9899 | 3 | [-0.25000000000000006] |
| 6 | succeeded | -1.0405372456 | 31.0597 | 3 | [0.1] |
| 7 | succeeded | -1.0491084796 | 31.2225 | 3 | [-0.1] |
| 8 | succeeded | -1.0259365972 | 30.8907 | 3 | [-0.2] |
| 9 | succeeded | -1.0488787926 | 31.0952 | 3 | [-0.049999999999999996] |
| 10 | succeeded | -1.0347160894 | 31.0198 | 3 | [-0.1125] |
| 11 | succeeded | -1.0444126420 | 31.1226 | 3 | [-0.07500000000000001] |
| 12 | succeeded | -1.0462324271 | 31.0201 | 3 | [-0.11] |
| 13 | succeeded | -1.0357522418 | 31.1014 | 3 | [-0.09] |
| 14 | succeeded | -1.0403459386 | 91.5388 | 3 | [-0.10500000000000001] |
| 15 | succeeded | -1.0465405817 | 31.0132 | 3 | [-0.0975] |
| 16 | succeeded | -1.0425935345 | 30.9979 | 3 | [-0.101] |
| 17 | succeeded | -1.0435096951 | 31.0851 | 3 | [-0.099] |
| 18 | succeeded | -1.0422168664 | 31.1205 | 3 | [-0.1005] |
| 19 | succeeded | -1.0428952653 | 30.924 | 3 | [-0.09975] |
| 20 | succeeded | -1.0437039710 | 31.1644 | 3 | [-0.10010000000000001] |
| 21 | succeeded | -1.0446498896 | 31.0214 | 3 | [-0.0999] |
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 | -1.0423051680 | -1.0461766370 | -1.0371802290 | 11.125 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.0425856385 | -1.0457169784 | -1.0374910418 | 13.75 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.0405549096 | -1.0442042134 | -1.0348252028 | 11.125 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.0419168408 | -1.0467804652 | -1.0386449877 | 13.75 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.