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DSGualaDSGuala
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try local class definitions
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‎content/qchem/h2-molecule/class.json

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{
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"slug": "qchem",
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"name": "Qchem",
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"attributeList": [
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{
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"name": "basis_rot_samples",
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"pythonType": "list[dict]",
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"doc": "List of samples for each grouping of the basis-rotated Hamiltonian terms",
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"optional": true
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},
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{
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"name": "basis_rot_groupings",
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"pythonType": "tuple[list[tensor_like], list[list[[Operation](https://docs.pennylane.ai/en/stable/code/api/pennylane.operation.Operation.html#pennylane.operation.Operation)], list[tensor_like]]]",
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"doc": "List of grouped Hamiltonian terms obtained using [`qml.qchem.basis_rotation`](https://docs.pennylane.ai/en/stable/code/api/pennylane.qchem.basis_rotation.html)",
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"optional": false
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},
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{
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"name": "dipole_op",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Qubit dipole moment operators for the chemical system",
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"optional": false
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},
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{
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"name": "fci_energy",
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"pythonType": "float",
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"doc": "Ground state energy of the molecule obtained from exact diagonalization",
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"optional": false
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},
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{
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"name": "fci_spectrum",
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"pythonType": "numpy.ndarray",
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"doc": "First `2 \u00d7 #qubits` eigenvalues obtained from exact diagonalization",
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"optional": false
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},
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{
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"name": "hamiltonian",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Hamiltonian of the system in the Pauli basis",
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"optional": false
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},
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{
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"name": "hf_state",
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"pythonType": "numpy.ndarray",
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"doc": "Hartree-Fock state of the chemical system represented by a binary vector",
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"optional": false
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},
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{
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"name": "initial_state_dets",
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"pythonType": "dict",
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"doc": "Slater determinants for initial states of varying quality",
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"optional": false
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},
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{
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"name": "initial_state_coeffs",
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"pythonType": "dict",
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"doc": "Coefficients of Slater determinants for initial states of varying quality",
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"optional": false
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},
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{
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"name": "molecule",
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"pythonType": "[Molecule](https://docs.pennylane.ai/en/stable/code/api/pennylane.qchem.Molecule.html)",
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"doc": "PennyLane Molecule object containing description for the system and basis set",
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"optional": false
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},
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{
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"name": "number_op",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Qubit operator for computing total spin \ud835\udc46<sup>2</sup> for the chemical system",
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"optional": false
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},
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{
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"name": "optimal_sector",
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"pythonType": "numpy.ndarray",
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"doc": "Eigensector of the tapered qubits that would contain the ground state",
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"optional": false
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},
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{
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"name": "paulix_ops",
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"pythonType": "list[[PauliX](https://docs.pennylane.ai/en/stable/code/api/pennylane.PauliX.html#pennylane.PauliX)]",
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"doc": "Supporting PauliX ops required to build Clifford \ud835\udc48 for tapering",
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"optional": false
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},
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{
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"name": "qwc_groupings",
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"pythonType": "tuple[list[tensor_like], list[list[[Operation](https://docs.pennylane.ai/en/stable/code/api/pennylane.operation.Operation.html#pennylane.operation.Operation)], list[tensor_like]]]",
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"doc": "List of grouped qubit-wise commuting Hamiltonian terms obtained using [`qml.pauli.optimize_measurements`](https://docs.pennylane.ai/en/stable/code/api/pennylane.pauli.optimize_measurements.html)",
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"optional": false
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},
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{
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"name": "qwc_samples",
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"pythonType": "list[dict]",
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"doc": "List of samples for each grouping of the qubit-wise commuting Hamiltonian terms",
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"optional": true
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},
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{
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"name": "sparse_hamiltonian",
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"pythonType": "scipy.sparse.csr_array",
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"doc": "Sparse matrix representation of a Hamiltonian in the computational basis",
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"optional": false
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},
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{
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"name": "spin2_op",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Qubit operator for computing total spin \ud835\udc46<sup>2</sup> for the chemical system",
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"optional": false
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},
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{
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"name": "spinz_op",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Qubit operator for computing total spin\u2019s projection in \ud835\udc4d direction",
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"optional": false
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},
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{
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"name": "symmetries",
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"pythonType": "list[[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)]",
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"doc": "Symmetries required for tapering molecular Hamiltonian",
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"optional": false
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},
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{
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"name": "tapered_dipole_op",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Tapered dipole moment operator",
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"optional": false
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},
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{
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"name": "tapered_hamiltonian",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Tapered Hamiltonia",
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"optional": false
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},
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{
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"name": "tapered_hf_state",
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"pythonType": "numpy.ndarray",
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"doc": "Tapered Hartree-Fock state of the molecule",
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"optional": false
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},
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{
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"name": "tapered_num_op",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Tapered number operator",
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"optional": false
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},
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{
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"name": "tapered_spin2_op",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Tapered total spin operator",
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"optional": false
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},
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{
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"name": "tapered_spinz_op",
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"pythonType": "[Hamiltonian](https://docs.pennylane.ai/en/stable/code/api/pennylane.Hamiltonian.html#pennylane.Hamiltonian)",
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"doc": "Tapered spin projection operator",
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"optional": false
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},
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{
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"name": "vqe_energy",
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"pythonType": "float",
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"doc": "Energy obtained from the state prepared by the optimized circuit",
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"optional": true
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},
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{
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"name": "vqe_gates",
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"pythonType": "list[[Operation](https://docs.pennylane.ai/en/stable/code/api/pennylane.operation.Operation.html#pennylane.operation.Operation)]",
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"doc": "[`SingleExcitation`](https://docs.pennylane.ai/en/stable/code/api/pennylane.SingleExcitation.html#pennylane.SingleExcitation) and [`DoubleExcitation`](https://docs.pennylane.ai/en/stable/code/api/pennylane.DoubleExcitation.html#pennylane.DoubleExcitation) gates for the optimized circuit",
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"optional": true
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},
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{
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"name": "vqe_params",
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"pythonType": "numpy.ndarray",
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"doc": "Optimal parameters for the gates that prepares ground state",
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"optional": true
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}
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],
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"parameterList": [
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{
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"name": "molname",
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"title": "Molecule Name",
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"description": null,
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"optional": false
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},
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{
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"name": "basis",
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"title": "Basis",
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"description": null,
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"optional": false
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},
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{
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"name": "bondlength",
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"title": "Bond length",
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"description": null,
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"optional": true
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},
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{
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"name": "bondangle",
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"title": "Bond angle",
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"description": null,
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"optional": true
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},
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{
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"name": "number_of_spin_orbitals",
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"title": "Number of spin orbitals",
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"description": null,
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"optional": false
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}
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]
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}

‎content/qchem/h2-molecule/dataset.json

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{
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"slug": "h2-molecule",
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"class": {
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"$path": "/qchem/_meta/class.json"
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"$path": "class.json"
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},
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"collection": {
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"$path": "/qchem/_meta/collection.json"

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