QEncode Benchmark
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BeH2

/jordan wigner/uccsd tapered
Certified
Beats CCSD(T)
cc-pvdz

BeH2_ccpvdz_JW_UCCSD_v4_tapered__sha256_31f7be8f2f7d9f00

VQE Gap

6.6461e-6 Ha

CASCI ref

-15.768411 Ha

Qubits (tapered)

3

CCSD(T) corr.

-6.896e-2 Ha

Molecule / Problem

NameBeH2
Basis setcc-pvdz
GeometryH 0.0 0.0 -1.30; Be 0.0 0.0 0.0; H 0.0 0.0 1.30
Charge0
Spin0
Active electrons4
Active orbitals4
Orbital optimizationHF

Encoding / Circuit

Qubit mappingjordan-wigner
Ansatz typeuccsd_tapered
Ansatz reps (HEA)1
TaperingZ2 symmetry — 5 symmetries removed
Qubits (original)8
Qubits (tapered)3
Num parameters8
Circuit depth14
2Q gates8
Non-Clifford gates14
T gates (FT estimate)168 (ε = 0.001)

T-gate count is the resource-relevant cost of a fault-tolerant implementation. It is an estimate from the non-Clifford rotations in the pre-transpilation circuit, assuming standard rotation synthesis to precision ε — not a compiled count for a specific device.

Note on UCCSD circuit metrics

UCCSD uses exponential Pauli operators (exp(iθH)) that are symbolic before compilation. Circuit depth and 2-qubit gate counts are not reported here — they depend on the target hardware and transpiler.

Energy Results

HF energy-15.7664276149 Ha
MP2 energy-15.8183028207 Ha
CCSD energy-15.8349590260 Ha
CCSD(T) energy-15.8353910120 Ha
CASCI ground state-15.7684109880 Ha
VQE best energy-15.7684043419 Ha
|VQE − CASCI| gap6.646119e-6 Ha
CCSD(T) correlation-6.896340e-2 Ha

Optimizer / Run Config

AlgorithmCOBYLA
Multistart runs1
Max iterations500
Total func evals272
Num parameters8
Backenddefault.qubit

Provenance / Reproducibility

Entry IDBeH2_ccpvdz_JW_UCCSD_v4_tapered__sha256_31f7be8f2f7d9f00
Schema version4.0.0
Created (UTC)2026-07-15T13:20:22.330397+00:00
SHA-256 hash31f7be8f2f7d9f008f5e8fa13d9eb66df388d1ee38cfdf22dd13b4b7acfd78f9
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 BeH2 \

--mapping jordan_wigner \

--ansatz-type uccsd \

--multistart 1 \

--max-iter 500 \

--out-dir releases/v4/db