QEncode Benchmark
Back to leaderboard

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
Non-Clifford gates110
T gates (FT estimate)1,320 (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-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