MolecularChemistryResult¶

class MolecularChemistryResult(a_dict=None)[source]¶

Bases: qiskit.aqua.algorithms.algorithm_result.AlgorithmResult

Molecular chemistry Result

Energies are in Hartree and dipole moments in A.U unless otherwise stated.

Methods

`clear`	rtype `None`
`combine`	Any property from the argument that exists in the receiver is updated.
`copy`
`fromkeys`
`get`
`items`
`keys`
`pop`	If key is not found, d is returned if given, otherwise KeyError is raised.
`popitem`	as a 2-tuple; but raise KeyError if D is empty.
`setdefault`
`update`	If E present and has a .keys() method, does: for k in E: D[k] = E[k] If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v In either case, this is followed by: for k, v in F.items(): D[k] = v
`values`

Attributes

algorithm_result¶

Returns raw algorithm result

hartree_fock_energy¶

Returns Hartree-Fock energy

nuclear_dipole_moment¶

Returns nuclear dipole moment X,Y,Z components in A.U when available from driver

Return type: Optional[Tuple[Optional[float], Optional[float], Optional[float]]]

nuclear_repulsion_energy¶

Returns nuclear repulsion energy when available from driver