Entry HF_ccpvdz_BK_HEA_v4_tapered__sha256_0d0d66a5769d58ec | QEncode

VQE Gap

3.9080e-12 Ha

CASCI ref

-100.019483 Ha

Qubits (tapered)

CCSD(T) corr.

-2.107e-1 Ha

Molecule / Problem

NameHF

Basis setcc-pvdz

GeometryH 0.0 0.0 0.0; F 0.0 0.0 0.917

Charge0

Spin0

Active electrons2

Active orbitals2

Orbital optimizationHF

Encoding / Circuit

Qubit mappingbravyi-kitaev

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-100.0194112692 Ha

MP2 energy-100.2231931799 Ha

CCSD energy-100.2281549564 Ha

CCSD(T) energy-100.2300913457 Ha

CASCI ground state-100.0194827962 Ha

VQE best energy-100.0194827962 Ha

|VQE − CASCI| gap3.907985e-12 Ha

CCSD(T) correlation-2.106801e-1 Ha

Optimizer / Run Config

AlgorithmCOBYLA

Multistart runs10

Max iterations500

Total func evals407

Num parameters3

Backenddefault.qubit

Provenance / Reproducibility

Entry IDHF_ccpvdz_BK_HEA_v4_tapered__sha256_0d0d66a5769d58ec

Schema version4.0.0

Created (UTC)2026-07-15T13:22:32.274462+00:00

SHA-256 hash0d0d66a5769d58ec356b181ce782af4a23836327454b3639ff8e084b24d1d229

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 HF \

--mapping bravyi_kitaev \

--ansatz-type hea \

--reps 2 \

--multistart 10 \

--max-iter 500 \

--out-dir releases/v4/db

View raw JSON on GitHub