Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.85789
H2
H2 VQE accuracy-cost benchmark · hardware · ibm_aachen
Final energy-1.8578933744hartree
Shots256
Runtime executionsingle-job
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
- single-job
- Shots
- 256
- Precision
- 0.0625
- Resilience
- 0
- Submitted
- 2026-03-09T22:03:41+01:00
- Wall time (s)
- 117
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)
- 0.000618344
- Signed error (Ha)
- -0.000618344
- Total QPU time (s)
- 35
- 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 | -1.8307502189 | 5.6289 | 2 | — |
| 2 | succeeded | -0.5967608176 | 5.5827 | 2 | — |
| 3 | succeeded | -0.8339729028 | 5.99624 | 2 | — |
| 4 | succeeded | -1.2566945302 | 5.48285 | 1 | — |
| 5 | succeeded | -1.8389712544 | 5.83031 | 2 | — |
| 6 | succeeded | -1.7796292704 | 5.22132 | 1 | — |
| 7 | succeeded | -1.8578933744 | 5.69 | 1 | — |
| 8 | succeeded | -1.8256684799 | 5.63096 | 2 | — |
| 9 | succeeded | -1.8200317572 | 6.24472 | 2 | — |
| 10 | succeeded | -1.8576158826 | 5.42541 | 2 | — |
| 11 | succeeded | -1.8296315630 | 5.79388 | 2 | — |
| 12 | succeeded | -1.8409397630 | 5.52304 | 2 | — |
| 13 | succeeded | -1.8480073880 | 6.04043 | 1 | — |
| 14 | succeeded | -1.8576158826 | 5.88397 | 2 | — |
| 15 | succeeded | -1.8327447935 | 6.08766 | 2 | — |
| 16 | succeeded | -1.8276543658 | 5.43954 | 2 | — |
| 17 | succeeded | -1.8234137908 | 5.90257 | 2 | — |
| 18 | succeeded | -1.8463076826 | 5.54023 | 1 | — |
| 19 | succeeded | -1.8222864462 | 5.69272 | 2 | — |
| 20 | succeeded | -1.8423532880 | 5.83549 | 2 | — |