QEncode Benchmark
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LiH

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

LiH_ccpvdz_JW_UCCSD_v4_tapered__sha256_21e143f12ed3a4b6

VQE Gap

2.8628e-6 Ha

CASCI ref

-7.983773 Ha

Qubits (tapered)

5

CCSD(T) corr.

-3.110e-2 Ha

Molecule / Problem

NameLiH
Basis setcc-pvdz
GeometryLi 0.0 0.0 0.0; H 0.0 0.0 1.6
Charge0
Spin0
Active electrons4
Active orbitals4
Orbital optimizationHF

Encoding / Circuit

Qubit mappingjordan-wigner
Ansatz typeuccsd_tapered
Ansatz reps (HEA)1
TaperingZ2 symmetry — 3 symmetries removed
Qubits (original)8
Qubits (tapered)5
Num parameters56
Circuit depth110
2Q gates24

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-7.9836422316 Ha
MP2 energy-8.0064478384 Ha
CCSD energy-8.0147376230 Ha
CCSD(T) energy-8.0147469479 Ha
CASCI ground state-7.9837729770 Ha
VQE best energy-7.9837701141 Ha
|VQE − CASCI| gap2.862819e-6 Ha
CCSD(T) correlation-3.110472e-2 Ha

Optimizer / Run Config

AlgorithmCOBYLA
Multistart runs1
Max iterations500
Total func evals500
Num parameters56
Backenddefault.qubit

Provenance / Reproducibility

Entry IDLiH_ccpvdz_JW_UCCSD_v4_tapered__sha256_21e143f12ed3a4b6
Schema version4.0.0
Created (UTC)2026-07-15T13:21:57.904916+00:00
SHA-256 hash21e143f12ed3a4b67436f7a7d21cf26894bcbf3f7979a1a652e3fbc3730723d9
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 LiH \

--mapping jordan_wigner \

--ansatz-type uccsd \

--multistart 1 \

--max-iter 500 \

--out-dir releases/v4/db