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H2

H2 VQE accuracy-cost benchmark · simulator · AerSimulator

Final energy-1.8548168700hartree
Shots16384
Runtime executionnot_applicable
Resilience0
MappingPT
Active space2e,2o

Parity mapping with full symmetry tapering · Shots and precision · Resilience settings

Method

Mapper
PT
Ansatz
UCC
Optimizer
COBYLA
Maximum iterations
80
Best energy (Ha)
Not recorded

Execution

Mode
simulator
Provider
Qiskit Aer
Compute resource
AerSimulator
Resource type
noisy aer simulator
Processor family
Not recorded
Processor model
Not recorded
Processor revision
Not recorded
Qubits
Not recorded
Connectivity
Not recorded
Runtime execution
not_applicable
Shots
16384
Precision
0.0078125
Resilience
0
Submitted
Not recorded
Wall time (s)
Not recorded

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)
0.00245816
Signed error (Ha)
0.00245816
Total QPU time (s)
Not recorded
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

  • Published local simulator control · Qiskit Aer

Optimization trajectory

No per-evaluation trace was retained for this calculation.