Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.85055
H2
H2 VQE accuracy-cost benchmark · hardware · ibm_aachen
Final energy-1.8390275944hartree
Shots1024
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
- 1024
- Precision
- 0.03125
- Resilience
- 0
- Submitted
- 2025-09-25T15:32:48+02:00
- Wall time (s)
- 123
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)
- 0.0182474
- Signed error (Ha)
- 0.0182474
- Total QPU time (s)
- 47
- 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
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 | -1.8172567028 | 8982.17 | 9 | — |
| 2 | succeeded | -0.5427086915 | 5.90288 | 2 | — |
| 3 | succeeded | -0.9092929325 | 6.09679 | 2 | — |
| 4 | succeeded | -1.5952229065 | 5.36402 | 2 | — |
| 5 | succeeded | -1.6389639836 | 5.75562 | 2 | — |
| 6 | succeeded | -1.8277952838 | 5.46716 | 2 | — |
| 7 | succeeded | -1.8134649480 | 5.91208 | 2 | — |
| 8 | succeeded | -1.8167797808 | 5.47029 | 2 | — |
| 9 | succeeded | -1.8458090389 | 5.97725 | 2 | — |
| 10 | succeeded | -1.8307567354 | 6.30885 | 2 | — |
| 11 | succeeded | -1.8416400090 | 5.60767 | 2 | — |
| 12 | succeeded | -1.8449657027 | 5.38888 | 2 | — |
| 13 | succeeded | -1.8348585645 | 5.69727 | 2 | — |
| 14 | succeeded | -1.8445407763 | 5.69871 | 2 | — |
| 15 | succeeded | -1.8272272673 | 5.86139 | 2 | — |
| 16 | succeeded | -1.8505460854 | 5.8024 | 2 | — |
| 17 | succeeded | -1.8245433075 | 5.79248 | 2 | — |
| 18 | succeeded | -1.8310429159 | 5.57208 | 2 | — |
| 19 | succeeded | -1.8209379499 | 5.75788 | 2 | — |
| 20 | succeeded | -1.8390275944 | 5.60118 | 2 | — |