PennyLane Molecules
This collection includes quantum properties for various molecules with different basis states and bond lengths. For each molecule, we provide descriptive information, including the Hamiltonian, and calculated values, such as the ground state energy.
Dataset
BeH2 Molecule
Dataset
BH3 Molecule
Dataset
C2H2 Molecule
Dataset
C2H4 Molecule
Dataset
C2H6 Molecule
Dataset
C2 Molecule
Dataset
CH2 Molecule
Dataset
CH2O Molecule
Dataset
CH4 Molecule
Dataset
CO2 Molecule
Dataset
CO Molecule
Dataset
H10 Molecule
Dataset
H2 Molecule
Dataset
H2O2 Molecule
Dataset
H2O Molecule
Dataset
H3+ Molecule
Dataset
H4 Molecule
Dataset
H5 Molecule
Dataset
H6 Molecule
Dataset
H7 Molecule
Dataset
H8 Molecule
Dataset
HCN Molecule
Dataset
He2 Molecule
Dataset
HeH+ Molecule
Dataset
HF Molecule
Dataset
Li2 Molecule
Dataset
LiH Molecule
Dataset
N2H2 Molecule
Dataset
N2H4 Molecule
Dataset
N2 Molecule
Dataset
NeH+ Molecule
Dataset
NH3 Molecule
Dataset
O2 Molecule
Dataset
O3 Molecule
Dataset
OH- Molecule