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H2

H2 VQE accuracy-cost benchmark · hardware · ibm_brussels

Final energy-0.9393650332hartree
Shots512
Runtime executionsingle-job
Resilience1
MappingJW
Active space2e,2o

Jordan-Wigner mapping · Shots and precision · Resilience settings

Method

Mapper
JW
Ansatz
UCC
Optimizer
COBYLA
Maximum iterations
30
Best energy (Ha)
-0.939365

Execution

Mode
hardware
Provider
IBM Quantum
Compute resource
ibm_brussels
Resource type
ibm quantum hardware
Processor family
Eagle r3
Processor model
Not recorded
Processor revision
Not recorded
Qubits
Not recorded
Connectivity
Not recorded
Runtime execution
single-job
Shots
512
Precision
0.0441942
Resilience
1
Submitted
2026-03-02T22:48:36+01:00
Wall time (s)
369

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
4
Physical qubits
Not recorded
Parameters
Not recorded
Depth
96
Two-qubit gates
48
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)
0.91791
Signed error (Ha)
0.91791
Total QPU time (s)
227
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)
Atomxyz
H000
H000.735

Dataset publication

Associated articles

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

Energy (Ha)
Signed reference error (mHa)
Cumulative quantum time (s)
Cumulative wall time (s)
AttemptOutcomeEnergy (Ha)Elapsed (s)Quantum (s)Parameters
1succeeded -0.843969875215.5231 10—
2succeeded -0.822137713315.2979 10—
3succeeded -0.788848630414.9996 10—
4succeeded -0.751262442415.3342 10—
5succeeded -0.845278941415.3691 10—
6succeeded -0.928103148115.133 10—
7succeeded -0.783668898916.7246 10—
8succeeded -0.759567165315.4866 11—
9succeeded -0.847976132320.2675 15—
10succeeded -0.869684361816.3436 11—
11succeeded -0.791244754715.2187 10—
12succeeded -0.814858442615.3231 10—
13succeeded -0.756726185715.5272 10—
14succeeded -0.939365033215.4963 10—
15succeeded -0.888268593835.3436 11—
16succeeded -0.869176511215.9531 10—
17succeeded -0.815413218720.6217 12—
18succeeded -0.929847895517.3741 12—
19succeeded -0.903226033720.3306 12—
20succeeded -0.799773625015.9019 11—
21succeeded -0.854164717220.3846 12—