ElectronicStructureResult
class ElectronicStructureResult(a_dict=None)
Bases: qiskit.chemistry.results.eigenstate_result.EigenstateResult
The electronic structure result.
Methods
clear
ElectronicStructureResult.clear()
Return type
None
combine
ElectronicStructureResult.combine(result)
Any property from the argument that exists in the receiver is updated. :type result: AlgorithmResult :param result: Argument result with properties to be set.
Raises
TypeError – Argument is None
Return type
None
copy
ElectronicStructureResult.copy()
fromkeys
classmethod ElectronicStructureResult.fromkeys(iterable, value=None)
get
ElectronicStructureResult.get(k[, d]) → D[k] if k in D, else d. d defaults to None.
has_dipole
ElectronicStructureResult.has_dipole()
Returns whether dipole moment is present in result or not
Return type
bool
has_observables
ElectronicStructureResult.has_observables()
Returns whether result has aux op observables such as spin, num particles
items
ElectronicStructureResult.items() → a set-like object providing a view on D’s items
keys
ElectronicStructureResult.keys() → a set-like object providing a view on D’s keys
pop
ElectronicStructureResult.pop(key, default=None)
If key is not found, d is returned if given, otherwise KeyError is raised.
Return type
object
popitem
ElectronicStructureResult.popitem()
as a 2-tuple; but raise KeyError if D is empty.
Return type
Tuple[object, object]
setdefault
ElectronicStructureResult.setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
update
ElectronicStructureResult.update(*args, **kwargs)
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
Return type
None
values
ElectronicStructureResult.values() → an object providing a view on D’s values
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