ElectronicStructureResult¶
-
class
ElectronicStructureResult(a_dict=None)[source]¶ Bases:
qiskit.chemistry.results.eigenstate_result.EigenstateResultThe electronic structure result.
Methods
- rtype
None
Any property from the argument that exists in the receiver is updated.
Returns whether dipole moment is present in result or not
Returns whether result has aux op observables such as spin, num particles
If key is not found, d is returned if given, otherwise KeyError is raised.
as a 2-tuple; but raise KeyError if D is empty.
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
Attributes
-
aux_operator_eigenvalues¶ return aux operator eigen values
- Return type
Optional[List[float]]
-
computed_dipole_moment¶ Returns computed electronic part of dipole moment
- Return type
Optional[List[Tuple[Optional[float],Optional[float],Optional[float]]]]
-
computed_energies¶ Returns computed electronic part of ground state energy
- Return type
ndarray
-
dipole_moment¶ Returns dipole moment
- Return type
Optional[List[Tuple[Optional[float],Optional[float],Optional[float]]]]
-
dipole_moment_in_debye¶ Returns dipole moment in Debye
- Return type
Optional[List[Tuple[Optional[float],Optional[float],Optional[float]]]]
-
eigenenergies¶ returns eigen energies
- Return type
Optional[ndarray]
-
eigenstates¶ returns eigen states
- Return type
Optional[List[Union[str,dict,Result,list,ndarray,Statevector,QuantumCircuit,Instruction,OperatorBase]]]
-
electronic_dipole_moment¶ Returns electronic dipole moment
- Return type
Optional[List[Tuple[Optional[float],Optional[float],Optional[float]]]]
-
electronic_energies¶ Returns electronic part of ground state energy
- Return type
ndarray
-
formatted¶ Formatted result as a list of strings
- Return type
List[str]
-
frozen_extracted_dipole_moment¶ Returns frozen extracted part of dipole moment
- Return type
Optional[List[Tuple[Optional[float],Optional[float],Optional[float]]]]
-
frozen_extracted_energy¶ Returns frozen extracted part of ground state energy
- Return type
float
-
groundenergy¶ returns ground energy
- Return type
Optional[float]
-
groundstate¶ returns ground state
- Return type
Union[str,dict,Result,list,ndarray,Statevector,QuantumCircuit,Instruction,OperatorBase,None]
-
hartree_fock_energy¶ Returns Hartree-Fock energy
- Return type
float
-
magnetization¶ Returns measured magnetization
- Return type
Optional[List[float]]
-
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
- Return type
Optional[float]
-
num_particles¶ Returns measured number of particles
- Return type
Optional[List[float]]
-
ph_extracted_dipole_moment¶ Returns particle hole extracted part of dipole moment
- Return type
Optional[List[Tuple[Optional[float],Optional[float],Optional[float]]]]
-
ph_extracted_energy¶ Returns particle hole extracted part of ground state energy
- Return type
float
-
raw_result¶ Returns the raw algorithm result.
- Return type
Optional[AlgorithmResult]
-
reverse_dipole_sign¶ Returns if electronic dipole moment sign should be reversed when adding to nuclear
- Return type
bool
-
spin¶ Returns computed spin
- Return type
Optional[List[float]]
-
total_angular_momentum¶ Returns total angular momentum (S^2)
- Return type
Optional[List[float]]
-
total_dipole_moment¶ Returns total dipole of moment
- Return type
Optional[List[float]]
-
total_dipole_moment_in_debye¶ Returns total dipole of moment in Debye
- Return type
Optional[List[float]]
-
total_energies¶ Returns ground state energy if nuclear_repulsion_energy is available from driver
- Return type
ndarray