Entry H6_ccpvdz_JW_ADAPT_v4_casscf_tapered__sha256_def5987c2958af93 | QEncode

VQE Gap

9.2728e-3 Ha

CASCI ref

-3.316869 Ha

Qubits (tapered)

CCSD(T) corr.

-1.358e-1 Ha

Molecule / Problem

NameH6

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

Charge0

Spin0

Active electrons6

Active orbitals6

Orbital optimizationCASSCF

Encoding / Circuit

Qubit mappingjordan-wigner

Ansatz typeadapt

Ansatz reps (HEA)1

TaperingZ2 symmetry — 3 symmetries removed

Qubits (original)12

Qubits (tapered)9

Num parameters28

Circuit depth370

2Q gates392

Energy Results

HF energy-3.2355058912 Ha

MP2 energy-3.3379294728 Ha

CCSD energy-3.3690859126 Ha

CCSD(T) energy-3.3712872713 Ha

CASSCF energy-3.3168688205 Ha

CASCI ground state-3.3168688206 Ha

VQE best energy-3.3075959902 Ha

|VQE − CASCI| gap9.272830e-3 Ha

CCSD(T) correlation-1.357814e-1 Ha

Optimizer / Run Config

AlgorithmADAPT-VQE (COBYLA inner)

Multistart runs1

Max iterations500

Total func evals6,023

Num parameters28

Backenddefault.qubit

Provenance / Reproducibility

Entry IDH6_ccpvdz_JW_ADAPT_v4_casscf_tapered__sha256_def5987c2958af93

Schema version4.0.0

Created (UTC)2026-07-16T09:59:31.863603+00:00

SHA-256 hashdef5987c2958af93d666d1b8e35c9e7465c41c114c35073ab4560236fb660ce3

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 H6 \

--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