Entry H2_ccpvdz_JW_HEA_v4_tapered__sha256_67c3022f966367ed | QEncode

VQE Gap

1.3613e-8 Ha

CASCI ref

-1.131287 Ha

Qubits (tapered)

CCSD(T) corr.

-3.459e-2 Ha

Molecule / Problem

NameH2

Basis setcc-pvdz

GeometryH 0.0 0.0 0.0; H 0.0 0.0 0.735

Charge0

Spin0

Active electrons2

Active orbitals2

Orbital optimizationHF

Encoding / Circuit

Qubit mappingjordan-wigner

Ansatz typehea

Ansatz reps (HEA)2

TaperingZ2 symmetry — 3 symmetries removed

Qubits (original)4

Qubits (tapered)1

Num parameters3

Circuit depth4

2Q gates0

Energy Results

HF energy-1.1286227699 Ha

MP2 energy-1.1549489623 Ha

CCSD energy-1.1632095636 Ha

CCSD(T) energy-1.1632095636 Ha

CASCI ground state-1.1312865113 Ha

VQE best energy-1.1312864977 Ha

|VQE − CASCI| gap1.361324e-8 Ha

CCSD(T) correlation-3.458679e-2 Ha

Optimizer / Run Config

AlgorithmCOBYLA

Multistart runs1

Max iterations500

Total func evals33

Num parameters3

Backenddefault.qubit

Provenance / Reproducibility

Entry IDH2_ccpvdz_JW_HEA_v4_tapered__sha256_67c3022f966367ed

Schema version4.0.0

Created (UTC)2026-07-15T13:22:26.372175+00:00

SHA-256 hash67c3022f966367edb952e64670095996505b08e21a19b6e51f87e32c09116b58

Python3.11.15

PySCF2.6.2

PennyLane0.45.0

OpenFermion1.6.1

NumPy2.2.6

SciPy1.13.1

Reproduce this result

# Clone repo and install pinned environment

git clone https://github.com/qencode-benchmark/qencode-benchmark

cd qencode-benchmark

pip install -r requirements-v4.txt

# Run this entry

python scripts/generate_entry_v4.py \

--molecule H2 \

--mapping jordan_wigner \

--ansatz-type hea \

--reps 2 \

--multistart 1 \

--max-iter 500 \

--out-dir releases/v4/db

View raw JSON on GitHub