MolecularGroundStateResult
class MolecularGroundStateResult(a_dict=None)
Bases: qiskit.chemistry.core.chemistry_operator.MolecularChemistryResult
Molecular Ground State Energy Result.
Energies are in Hartree and dipole moments in A.U unless otherwise stated.
Methods
clear
MolecularGroundStateResult.clear()
Return type
None
combine
MolecularGroundStateResult.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
MolecularGroundStateResult.copy()
fromkeys
classmethod MolecularGroundStateResult.fromkeys(iterable, value=None)
get
MolecularGroundStateResult.get(k[, d]) → D[k] if k in D, else d. d defaults to None.
has_dipole
MolecularGroundStateResult.has_dipole()
Returns whether dipole moment is present in result or not
Return type
bool
has_observables
MolecularGroundStateResult.has_observables()
Returns whether result has aux op observables such as spin, num particles
items
MolecularGroundStateResult.items() → a set-like object providing a view on D’s items
keys
MolecularGroundStateResult.keys() → a set-like object providing a view on D’s keys
pop
MolecularGroundStateResult.pop(key, default=None)
If key is not found, d is returned if given, otherwise KeyError is raised.
Return type
object
popitem
MolecularGroundStateResult.popitem()
as a 2-tuple; but raise KeyError if D is empty.
Return type
Tuple[object, object]
setdefault
MolecularGroundStateResult.setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
update
MolecularGroundStateResult.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
MolecularGroundStateResult.values() → an object providing a view on D’s values
Attributes
algorithm_result
Returns raw algorithm result
Return type
AlgorithmResult
computed_dipole_moment
Returns computed electronic part of dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
computed_electronic_energy
Returns computed electronic part of ground state energy
Return type
float
dipole_moment
Returns dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
dipole_moment_in_debye
Returns dipole moment in Debye
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
electronic_dipole_moment
Returns electronic dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
electronic_energy
Returns electronic part of ground state energy
Return type
float
energy
Returns ground state energy if nuclear_repulsion_energy is available from driver
Return type
Optional[float]
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[Tuple[Optional[float], Optional[float], Optional[float]]]
frozen_extracted_energy
Returns frozen extracted part of ground state energy
Return type
float
hartree_fock_energy
Returns Hartree-Fock energy
Return type
float
magnetization
Returns measured magnetization
Return type
Optional[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[float]
ph_extracted_dipole_moment
Returns particle hole extracted part of dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
ph_extracted_energy
Returns particle hole extracted part of ground state energy
Return type
float
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[float]
total_angular_momentum
Returns total angular momentum (S^2)
Return type
Optional[float]
total_dipole_moment
Returns total dipole of moment
Return type
Optional[float]
total_dipole_moment_in_debye
Returns total dipole of moment in Debye
Return type
Optional[float]