397 lines
11 KiB
Plaintext
397 lines
11 KiB
Plaintext
---
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title: ElectronicStructureResult
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description: API reference for qiskit.chemistry.results.ElectronicStructureResult
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in_page_toc_min_heading_level: 1
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python_api_type: class
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python_api_name: qiskit.chemistry.results.ElectronicStructureResult
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---
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# ElectronicStructureResult
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<Class id="qiskit.chemistry.results.ElectronicStructureResult" isDedicatedPage={true} github="https://github.com/qiskit-community/qiskit-aqua/tree/stable/0.9/qiskit/chemistry/results/electronic_structure_result.py" signature="ElectronicStructureResult(a_dict=None)" modifiers="class">
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Bases: `qiskit.chemistry.results.eigenstate_result.EigenstateResult`
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The electronic structure result.
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## Methods
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### clear
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.clear" signature="ElectronicStructureResult.clear()">
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**Return type**
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`None`
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</Function>
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### combine
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.combine" signature="ElectronicStructureResult.combine(result)">
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Any property from the argument that exists in the receiver is updated. :type result: `AlgorithmResult` :param result: Argument result with properties to be set.
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**Raises**
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**TypeError** – Argument is None
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**Return type**
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`None`
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</Function>
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### copy
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.copy" signature="ElectronicStructureResult.copy()" />
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### fromkeys
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.fromkeys" signature="ElectronicStructureResult.fromkeys(iterable, value=None)" modifiers="classmethod" />
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### get
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.get" signature="ElectronicStructureResult.get(k[, d]) → D[k] if k in D, else d. d defaults to None." />
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### has\_dipole
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.has_dipole" signature="ElectronicStructureResult.has_dipole()">
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Returns whether dipole moment is present in result or not
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**Return type**
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`bool`
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</Function>
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### has\_observables
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.has_observables" signature="ElectronicStructureResult.has_observables()">
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Returns whether result has aux op observables such as spin, num particles
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</Function>
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### items
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.items" signature="ElectronicStructureResult.items() → a set-like object providing a view on D’s items" />
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### keys
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.keys" signature="ElectronicStructureResult.keys() → a set-like object providing a view on D’s keys" />
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### pop
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.pop" signature="ElectronicStructureResult.pop(key, default=None)">
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If key is not found, d is returned if given, otherwise KeyError is raised.
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**Return type**
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`object`
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</Function>
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### popitem
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.popitem" signature="ElectronicStructureResult.popitem()">
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as a 2-tuple; but raise KeyError if D is empty.
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**Return type**
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`Tuple`\[`object`, `object`]
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</Function>
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### setdefault
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.setdefault" signature="ElectronicStructureResult.setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D" />
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### update
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.update" signature="ElectronicStructureResult.update(*args, **kwargs)">
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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
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**Return type**
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`None`
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</Function>
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### values
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<Function id="qiskit.chemistry.results.ElectronicStructureResult.values" signature="ElectronicStructureResult.values() → an object providing a view on D’s values" />
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## Attributes
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### aux\_operator\_eigenvalues
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.aux_operator_eigenvalues">
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return aux operator eigen values
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**Return type**
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`Optional`\[`List`\[`float`]]
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</Attribute>
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### computed\_dipole\_moment
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.computed_dipole_moment">
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Returns computed electronic part of dipole moment
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**Return type**
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`Optional`\[`List`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]]
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</Attribute>
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### computed\_energies
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.computed_energies">
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Returns computed electronic part of ground state energy
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**Return type**
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`ndarray`
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</Attribute>
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### dipole\_moment
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.dipole_moment">
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Returns dipole moment
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**Return type**
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`Optional`\[`List`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]]
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</Attribute>
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### dipole\_moment\_in\_debye
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.dipole_moment_in_debye">
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Returns dipole moment in Debye
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**Return type**
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`Optional`\[`List`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]]
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</Attribute>
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### eigenenergies
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.eigenenergies">
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returns eigen energies
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**Return type**
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`Optional`\[`ndarray`]
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</Attribute>
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### eigenstates
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.eigenstates">
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returns eigen states
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**Return type**
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`Optional`\[`List`\[`Union`\[`str`, `dict`, `Result`, `list`, `ndarray`, `Statevector`, `QuantumCircuit`, `Instruction`, `OperatorBase`]]]
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</Attribute>
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### electronic\_dipole\_moment
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.electronic_dipole_moment">
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Returns electronic dipole moment
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**Return type**
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`Optional`\[`List`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]]
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</Attribute>
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### electronic\_energies
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.electronic_energies">
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Returns electronic part of ground state energy
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**Return type**
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`ndarray`
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</Attribute>
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### formatted
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.formatted">
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Formatted result as a list of strings
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**Return type**
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`List`\[`str`]
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</Attribute>
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### frozen\_extracted\_dipole\_moment
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.frozen_extracted_dipole_moment">
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Returns frozen extracted part of dipole moment
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**Return type**
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`Optional`\[`List`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]]
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</Attribute>
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### frozen\_extracted\_energy
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.frozen_extracted_energy">
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Returns frozen extracted part of ground state energy
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**Return type**
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`float`
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</Attribute>
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### groundenergy
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.groundenergy">
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returns ground energy
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**Return type**
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`Optional`\[`float`]
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</Attribute>
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### groundstate
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.groundstate">
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returns ground state
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**Return type**
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`Union`\[`str`, `dict`, `Result`, `list`, `ndarray`, `Statevector`, `QuantumCircuit`, `Instruction`, `OperatorBase`, `None`]
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</Attribute>
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### hartree\_fock\_energy
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.hartree_fock_energy">
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Returns Hartree-Fock energy
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**Return type**
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`float`
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</Attribute>
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### magnetization
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.magnetization">
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Returns measured magnetization
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**Return type**
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`Optional`\[`List`\[`float`]]
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</Attribute>
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### nuclear\_dipole\_moment
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.nuclear_dipole_moment">
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Returns nuclear dipole moment X,Y,Z components in A.U when available from driver
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**Return type**
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`Optional`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]
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</Attribute>
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### nuclear\_repulsion\_energy
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.nuclear_repulsion_energy">
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Returns nuclear repulsion energy when available from driver
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**Return type**
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`Optional`\[`float`]
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</Attribute>
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### num\_particles
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.num_particles">
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Returns measured number of particles
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**Return type**
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`Optional`\[`List`\[`float`]]
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</Attribute>
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### ph\_extracted\_dipole\_moment
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.ph_extracted_dipole_moment">
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Returns particle hole extracted part of dipole moment
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**Return type**
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`Optional`\[`List`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]]
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</Attribute>
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### ph\_extracted\_energy
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.ph_extracted_energy">
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Returns particle hole extracted part of ground state energy
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**Return type**
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`float`
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</Attribute>
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### raw\_result
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.raw_result">
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Returns the raw algorithm result.
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**Return type**
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`Optional`\[`AlgorithmResult`]
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</Attribute>
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### reverse\_dipole\_sign
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.reverse_dipole_sign">
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Returns if electronic dipole moment sign should be reversed when adding to nuclear
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**Return type**
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`bool`
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</Attribute>
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### spin
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.spin">
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Returns computed spin
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**Return type**
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`Optional`\[`List`\[`float`]]
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</Attribute>
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### total\_angular\_momentum
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.total_angular_momentum">
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Returns total angular momentum (S^2)
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**Return type**
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`Optional`\[`List`\[`float`]]
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</Attribute>
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### total\_dipole\_moment
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.total_dipole_moment">
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Returns total dipole of moment
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**Return type**
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`Optional`\[`List`\[`float`]]
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</Attribute>
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### total\_dipole\_moment\_in\_debye
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.total_dipole_moment_in_debye">
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Returns total dipole of moment in Debye
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**Return type**
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`Optional`\[`List`\[`float`]]
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</Attribute>
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### total\_energies
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<Attribute id="qiskit.chemistry.results.ElectronicStructureResult.total_energies">
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Returns ground state energy if nuclear\_repulsion\_energy is available from driver
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**Return type**
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`ndarray`
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</Attribute>
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</Class>
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