Entry H10_ccpvdz_JW_ADAPT_v4_casscf_tapered__sha256_d2701c2be739db5f | QEncode

VQE Gap

9.9775e-3 Ha

CASCI ref

-5.512849 Ha

Qubits (tapered)

CCSD(T) corr.

-2.338e-1 Ha

Molecule / Problem

NameH10

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; H 0.0 0.0 8.0; H 0.0 0.0 9.0

Charge0

Spin0

Active electrons10

Active orbitals10

Orbital optimizationCASSCF

Encoding / Circuit

Qubit mappingjordan-wigner

Ansatz typeadapt

Ansatz reps (HEA)1

TaperingZ2 symmetry — 2 symmetries removed

Qubits (original)20

Qubits (tapered)18

Num parameters300

Circuit depth3562

2Q gates4200

Energy Results

HF energy-5.3760257260 Ha

MP2 energy-5.5557810968 Ha

CCSD energy-5.6041776544 Ha

CCSD(T) energy-5.6097823362 Ha

CASSCF energy-5.5128493129 Ha

CASCI ground state-5.5128493137 Ha

VQE best energy-5.5028718380 Ha

|VQE − CASCI| gap9.977477e-3 Ha

CCSD(T) correlation-2.337566e-1 Ha

Optimizer / Run Config

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

Multistart runs1

Max iterations500

Total func evals582,465

Num parameters300

Backenddefault.qubit

Provenance / Reproducibility

Entry IDH10_ccpvdz_JW_ADAPT_v4_casscf_tapered__sha256_d2701c2be739db5f

Schema version4.0.0

Created (UTC)2026-07-16T12:13:54.261227+00:00

SHA-256 hashd2701c2be739db5f783295a56ea05631696467ce04235e52b53e655363bf1812

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 H10 \

--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