Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 30
- Best energy (Ha)
- -1.72533
H2
H2 VQE accuracy-cost benchmark · hardware · ibm_aachen
Final energy-1.6823735374hartree
Shots256
Runtime executionsession
Resilience0
MappingPT
Active space2e,2o
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
- session
- Shots
- 256
- Precision
- 0.0625
- Resilience
- 0
- Submitted
- 2025-12-28T17:16:45+01:00
- Wall time (s)
- 102
Molecular system
- Charge
- 0
- Multiplicity
- 1
- Basis
- STO-3G
- Active space
- 2e,2o
- Active electrons
- 2
- Spatial orbitals
- 2
- Active orbital indices
- Not recorded
- Geometry units
- angstrom
Circuit
- Logical qubits
- 1
- Physical qubits
- Not recorded
- Parameters
- Not recorded
- Depth
- 1
- Two-qubit gates
- 0
- Hamiltonian terms
- Not recorded
Scientific provenance
- Cohort
- published h2
- Reference method
- exact diagonalization
- Reference energy (Ha)
- -1.85728
- Energy convention
- Published H2 benchmark electronic-energy convention
- Absolute error (Ha)
- 0.174901
- Signed error (Ha)
- 0.174901
- Total QPU time (s)
- 21
- Calibration time
- Not recorded
- Mean readout error
- Not recorded
- 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
- Qiskit Nature Pyscf
- 0.4.0
Molecular geometry (angstrom)
| Atom | x | y | z |
|---|---|---|---|
| H | 0 | 0 | 0 |
| H | 0 | 0 | 0.735 |
Dataset publication
Associated articles
- Accuracy-Cost Trade-offs for Reference VQE Calculations of H2 on IBM Quantum Hardware submitted to Quantum Science and Technology
- Accuracy-Cost Trade-offs for Reference VQE Calculations of H2 on IBM Quantum Hardware DOI 10.48550/arXiv.2604.11478 arXiv 2604.11478 published preprint
Compute access
- Fraunhofer Quantum Now and EQeS · IBM Quantum · allocation: Fraunhofer Quantum Now
Optimization trajectory
18 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 | -1.7134623987 | 248.519 | 1 | — |
| 2 | succeeded | -0.6552703262 | 5.79169 | 1 | — |
| 3 | succeeded | -0.8650530755 | 5.74724 | 1 | — |
| 4 | succeeded | -1.4820260545 | 5.5978 | 1 | — |
| 5 | succeeded | -1.4915737285 | 5.43375 | 1 | — |
| 6 | succeeded | -1.6538342342 | 5.7629 | 1 | — |
| 7 | succeeded | -1.5537688284 | 5.5877 | 1 | — |
| 8 | succeeded | -1.7143122514 | 5.28834 | 1 | — |
| 9 | succeeded | -1.6719151901 | 5.20169 | 1 | — |
| 10 | succeeded | -1.6538255456 | 5.78411 | 1 | — |
| 11 | succeeded | -1.7253342709 | 5.84662 | 2 | — |
| 12 | succeeded | -1.6651337456 | 5.11826 | 1 | — |
| 13 | succeeded | -1.6747422401 | 5.71685 | 1 | — |
| 14 | succeeded | -1.6885913096 | 5.3197 | 1 | — |
| 15 | succeeded | -1.7018767069 | 6.25863 | 2 | — |
| 16 | succeeded | -1.7236432541 | 5.24838 | 1 | — |
| 17 | succeeded | -1.6795464874 | 5.31854 | 1 | — |
| 18 | succeeded | -1.6823735374 | 5.86901 | 2 | — |