Entry H8_ccpvdz_JW_ADAPT_v4_casscf_tapered__sha256_b2328caa5d17467b | QEncode

VQE Gap

9.7967e-3 Ha

CASCI ref

-4.414546 Ha

Qubits (tapered)

CCSD(T) corr.

-1.847e-1 Ha

Molecule / Problem

NameH8

Basis setcc-pvdz

GeometryH 0.0 0.0 0.0; H 0.0 0.0 1.0; H 0.0 0.0 2.0; H 0.0 0.0 3.0; H 0.0 0.0 4.0; H 0.0 0.0 5.0; H 0.0 0.0 6.0; H 0.0 0.0 7.0

Charge0

Spin0

Active electrons8

Active orbitals8

Orbital optimizationCASSCF

Encoding / Circuit

Qubit mappingjordan-wigner

Ansatz typeadapt

Ansatz reps (HEA)1

TaperingZ2 symmetry — 3 symmetries removed

Qubits (original)16

Qubits (tapered)13

Num parameters98

Circuit depth1088

2Q gates1372

Energy Results

HF energy-4.3055303152 Ha

MP2 energy-4.4463965889 Ha

CCSD energy-4.4863709762 Ha

CCSD(T) energy-4.4901950501 Ha

CASSCF energy-4.4145462257 Ha

CASCI ground state-4.4145462258 Ha

VQE best energy-4.4047495716 Ha

|VQE − CASCI| gap9.796656e-3 Ha

CCSD(T) correlation-1.846647e-1 Ha

Optimizer / Run Config

AlgorithmADAPT-VQE (L-BFGS-B inner, statevector engine)

Multistart runs1

Max iterations500

Total func evals63,072

Num parameters98

Backenddefault.qubit

Provenance / Reproducibility

Entry IDH8_ccpvdz_JW_ADAPT_v4_casscf_tapered__sha256_b2328caa5d17467b

Schema version4.0.0

Created (UTC)2026-07-16T10:12:02.913746+00:00

SHA-256 hashb2328caa5d17467bd47e060ef45b150598f9b24edb224737d6f90275bf817713

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 H8 \

--mapping jordan_wigner \

--ansatz-type adapt \

--reps 1 \

--orbital-opt casscf \

--multistart 1 \

--max-iter 500 \

--out-dir releases/v4/db

View raw JSON on GitHub