349 lines
9.5 KiB
Plaintext
349 lines
9.5 KiB
Plaintext
---
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title: MolecularGroundStateResult
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description: API reference for qiskit.chemistry.core.MolecularGroundStateResult
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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.core.MolecularGroundStateResult
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---
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# MolecularGroundStateResult
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<Class id="qiskit.chemistry.core.MolecularGroundStateResult" isDedicatedPage={true} github="https://github.com/qiskit-community/qiskit-aqua/tree/stable/0.9/qiskit/chemistry/core/chemistry_operator.py" signature="MolecularGroundStateResult(a_dict=None)" modifiers="class">
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Bases: `qiskit.chemistry.core.chemistry_operator.MolecularChemistryResult`
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Molecular Ground State Energy Result.
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Energies are in Hartree and dipole moments in A.U unless otherwise stated.
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## Methods
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### clear
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<Function id="qiskit.chemistry.core.MolecularGroundStateResult.clear" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.combine" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.copy" signature="MolecularGroundStateResult.copy()" />
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### fromkeys
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<Function id="qiskit.chemistry.core.MolecularGroundStateResult.fromkeys" signature="MolecularGroundStateResult.fromkeys(iterable, value=None)" modifiers="classmethod" />
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### get
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<Function id="qiskit.chemistry.core.MolecularGroundStateResult.get" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.has_dipole" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.has_observables" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.items" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.keys" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.pop" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.popitem" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.setdefault" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.update" signature="MolecularGroundStateResult.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.core.MolecularGroundStateResult.values" signature="MolecularGroundStateResult.values() → an object providing a view on D’s values" />
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## Attributes
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### algorithm\_result
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.algorithm_result">
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Returns raw algorithm result
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**Return type**
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`AlgorithmResult`
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</Attribute>
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### computed\_dipole\_moment
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.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`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]
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</Attribute>
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### computed\_electronic\_energy
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.computed_electronic_energy">
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Returns computed electronic 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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### dipole\_moment
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.dipole_moment">
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Returns dipole moment
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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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### dipole\_moment\_in\_debye
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.dipole_moment_in_debye">
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Returns dipole moment in Debye
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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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### electronic\_dipole\_moment
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.electronic_dipole_moment">
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Returns electronic dipole moment
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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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### electronic\_energy
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.electronic_energy">
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Returns electronic 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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### energy
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.energy">
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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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`Optional`\[`float`]
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</Attribute>
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### formatted
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.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.core.MolecularGroundStateResult.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`\[`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.core.MolecularGroundStateResult.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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### hartree\_fock\_energy
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.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.core.MolecularGroundStateResult.magnetization">
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Returns measured magnetization
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**Return type**
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`Optional`\[`float`]
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</Attribute>
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### nuclear\_dipole\_moment
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.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.core.MolecularGroundStateResult.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.core.MolecularGroundStateResult.num_particles">
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Returns measured number of particles
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**Return type**
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`Optional`\[`float`]
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</Attribute>
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### ph\_extracted\_dipole\_moment
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.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`\[`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.core.MolecularGroundStateResult.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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### reverse\_dipole\_sign
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.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.core.MolecularGroundStateResult.spin">
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Returns computed spin
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**Return type**
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`Optional`\[`float`]
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</Attribute>
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### total\_angular\_momentum
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.total_angular_momentum">
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Returns total angular momentum (S^2)
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**Return type**
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`Optional`\[`float`]
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</Attribute>
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### total\_dipole\_moment
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.total_dipole_moment">
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Returns total dipole of moment
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**Return type**
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`Optional`\[`float`]
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</Attribute>
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### total\_dipole\_moment\_in\_debye
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<Attribute id="qiskit.chemistry.core.MolecularGroundStateResult.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`\[`float`]
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</Attribute>
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</Class>
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