73 lines
4.3 KiB
Plaintext
73 lines
4.3 KiB
Plaintext
---
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title: QEOM
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description: API reference for qiskit.chemistry.algorithms.QEOM
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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.algorithms.QEOM
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---
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# qiskit.chemistry.algorithms.QEOM
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<Class id="qiskit.chemistry.algorithms.QEOM" isDedicatedPage={true} github="https://github.com/qiskit-community/qiskit-aqua/tree/stable/0.9/qiskit/chemistry/algorithms/excited_states_solvers/qeom.py" signature="QEOM(ground_state_solver, excitations='sd')" modifiers="class">
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The calculation of excited states via the qEOM algorithm
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**Parameters**
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* **ground\_state\_solver** (`GroundStateSolver`) – a GroundStateSolver object. The qEOM algorithm will use this ground state to compute the EOM matrix elements
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* **excitations** (`Union`\[`str`, `List`\[`List`\[`int`]]]) – The excitations to be included in the eom pseudo-eigenvalue problem. If a string (‘s’, ‘d’ or ‘sd’) then all excitations of the given type will be used. Otherwise a list of custom excitations can directly be provided.
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### \_\_init\_\_
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<Function id="qiskit.chemistry.algorithms.QEOM.__init__" signature="__init__(ground_state_solver, excitations='sd')">
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**Parameters**
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* **ground\_state\_solver** (`GroundStateSolver`) – a GroundStateSolver object. The qEOM algorithm will use this ground state to compute the EOM matrix elements
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* **excitations** (`Union`\[`str`, `List`\[`List`\[`int`]]]) – The excitations to be included in the eom pseudo-eigenvalue problem. If a string (‘s’, ‘d’ or ‘sd’) then all excitations of the given type will be used. Otherwise a list of custom excitations can directly be provided.
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</Function>
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## Methods
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| ------------------------------------------------------------------------------------------------------------------------------------------- | ------------------------------------------------- |
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| [`__init__`](#qiskit.chemistry.algorithms.QEOM.__init__ "qiskit.chemistry.algorithms.QEOM.__init__")(ground\_state\_solver\[, excitations]) | **type ground\_state\_solver**`GroundStateSolver` |
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| [`solve`](#qiskit.chemistry.algorithms.QEOM.solve "qiskit.chemistry.algorithms.QEOM.solve")(driver\[, aux\_operators]) | Run the excited-states calculation. |
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## Attributes
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| ------------------------------------------------------------------------------------------------------------- | ---------------------------------------------------------------------------- |
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| [`excitations`](#qiskit.chemistry.algorithms.QEOM.excitations "qiskit.chemistry.algorithms.QEOM.excitations") | Returns the excitations to be included in the eom pseudo-eigenvalue problem. |
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### excitations
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<Attribute id="qiskit.chemistry.algorithms.QEOM.excitations">
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Returns the excitations to be included in the eom pseudo-eigenvalue problem.
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**Return type**
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`Union`\[`str`, `List`\[`List`\[`int`]]]
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</Attribute>
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### solve
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<Function id="qiskit.chemistry.algorithms.QEOM.solve" signature="solve(driver, aux_operators=None)">
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Run the excited-states calculation.
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Construct and solves the EOM pseudo-eigenvalue problem to obtain the excitation energies and the excitation operators expansion coefficients.
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**Parameters**
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* **driver** (`BaseDriver`) – a chemistry driver object which defines the chemical problem that is to be solved by this calculation.
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* **aux\_operators** (`Union`\[`List`\[`FermionicOperator`], `List`\[`BosonicOperator`], `None`]) – Additional auxiliary operators to evaluate. Must be of type `FermionicOperator` if the qubit transformation is fermionic and of type `BosonicOperator` it is bosonic.
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**Return type**
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`Union`\[`ElectronicStructureResult`, `VibronicStructureResult`]
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**Returns**
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The excited states result. In case of a fermionic problem a `ElectronicStructureResult` is returned and in the bosonic case a `VibronicStructureResult`.
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</Function>
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</Class>
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