Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.0388
LiH
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_pittsburgh
Final energy-1.0335631480hartree
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_pittsburgh
- Resource type
- quantum processor
- Processor family
- Heron
- Processor model
- ibm_pittsburgh
- Processor revision
- 3
- Qubits
- 156
- Connectivity
- Not recorded
- Runtime execution
- single-job
- Shots
- 1024
- Precision
- 0.03125
- Resilience
- 0
- Submitted
- 2026-08-01T18:06:37+00:00
- Wall time (s)
- 894.482
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)
- 0.0196598
- Signed error (Ha)
- 0.0196598
- Total QPU time (s)
- 78
- Calibration time
- 2026-08-01T17:31:23+00:00
- Mean readout error
- 0.00518798828125
- Mean two-qubit gate error
- 0.0017540690567794115
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
26 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 | -1.0349063895 | 32.3649 | 3 | [0.0] |
| 2 | succeeded | -0.5876813255 | 31.7137 | 3 | [1.0] |
| 3 | succeeded | -0.5975230475 | 31.4879 | 3 | [-1.0] |
| 4 | succeeded | -0.8866372431 | 31.727 | 3 | [0.5] |
| 5 | succeeded | -0.9919603579 | 61.9754 | 3 | [-0.25] |
| 6 | succeeded | -1.0286829660 | 31.5619 | 3 | [0.1] |
| 7 | succeeded | -1.0279051598 | 31.8825 | 3 | [-0.1] |
| 8 | succeeded | -1.0318414368 | 31.7602 | 3 | [0.05000000000000001] |
| 9 | succeeded | -1.0063829038 | 31.6645 | 3 | [-0.025000000000000005] |
| 10 | succeeded | -1.0349540344 | 31.5853 | 3 | [0.005000000000000001] |
| 11 | succeeded | -1.0359880966 | 31.7207 | 3 | [0.015000000000000003] |
| 12 | succeeded | -1.0339003468 | 62.0122 | 3 | [0.035] |
| 13 | succeeded | -1.0362785304 | 31.4317 | 3 | [0.005000000000000001] |
| 14 | succeeded | -1.0375147137 | 31.597 | 3 | [-0.005000000000000001] |
| 15 | succeeded | -1.0319786233 | 31.8029 | 3 | [-0.02500000000000001] |
| 16 | succeeded | -1.0331057032 | 31.5084 | 3 | [0.004999999999999999] |
| 17 | succeeded | -1.0385387092 | 31.6958 | 3 | [-0.015000000000000003] |
| 18 | succeeded | -1.0334446005 | 31.8868 | 3 | [-0.025] |
| 19 | succeeded | -1.0318716897 | 31.5637 | 3 | [-0.010000000000000002] |
| 20 | succeeded | -1.0207091217 | 31.5481 | 3 | [-0.0175] |
| 21 | succeeded | -1.0186187971 | 32.2758 | 3 | [-0.014000000000000002] |
| 22 | succeeded | -1.0092608998 | 32.0444 | 3 | [-0.016000000000000004] |
| 23 | succeeded | -1.0319478609 | 31.5729 | 3 | [-0.014500000000000002] |
| 24 | succeeded | -1.0331358043 | 31.8377 | 3 | [-0.015250000000000003] |
| 25 | succeeded | -1.0387963035 | 31.9422 | 3 | [-0.014900000000000004] |
| 26 | succeeded | -1.0335631480 | 31.8124 | 3 | [-0.014800000000000004] |
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-0D3257EA32142E89 | 1024 | 0 | 10 | -1.0430332226 | -1.0460278190 | -1.0386704078 | 11.125 |
| theta_best | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.0428911759 | -1.0446056937 | -1.0396336375 | 9.625 |
| theta_best | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.0456529328 | -1.0478576039 | -1.0440424685 | 4.125 |
| theta_best | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.0434423174 | -1.0463402863 | -1.0394071940 | 7.5 |
| theta_best | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.0492950007 | -1.0517347378 | -1.0476188676 | 15 |
| theta_final | EPOCH-0D3257EA32142E89 | 1024 | 0 | 10 | -1.0422053525 | -1.0440169843 | -1.0394646904 | 11.125 |
| theta_final | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.0426176608 | -1.0445013815 | -1.0404333678 | 9.625 |
| theta_final | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.0449967720 | -1.0461676182 | -1.0439156872 | 4.125 |
| theta_final | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.0424610944 | -1.0454784067 | -1.0382538294 | 7.5 |
| theta_final | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.0462468728 | -1.0477556672 | -1.0453097758 | 15 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.