Entry LiH_ccpvdz_PAR_HEA_v4_tapered__sha256_e94da71e7eb3b98e | QEncode

VQE Gap

5.1814e-3 Ha

CASCI ref

-7.983773 Ha

Qubits (tapered)

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 mappingparity

Ansatz typehea

Ansatz reps (HEA)2

TaperingZ2 symmetry — 3 symmetries removed

Qubits (original)8

Qubits (tapered)5

Num parameters15

Circuit depth10

2Q gates8

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-7.9785915980 Ha

|VQE − CASCI| gap5.181379e-3 Ha

CCSD(T) correlation-3.110472e-2 Ha

Optimizer / Run Config

AlgorithmCOBYLA

Multistart runs2

Max iterations500

Total func evals1,000

Num parameters15

Backenddefault.qubit

Provenance / Reproducibility

Entry IDLiH_ccpvdz_PAR_HEA_v4_tapered__sha256_e94da71e7eb3b98e

Schema version4.0.0

Created (UTC)2026-07-15T13:21:42.195337+00:00

SHA-256 hashe94da71e7eb3b98ec2582405875e1913abc4b6784f477ae2d73a80b2e8586ddb

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 parity \

--ansatz-type hea \

--reps 2 \

--multistart 2 \

--max-iter 500 \

--out-dir releases/v4/db

View raw JSON on GitHub