Algorithms (qiskit_nature.second_q.algorithms)#
These are natural science algorithms to solve specific problems such as finding the ground state energy, excited state energies or potential energy surfaces.
Excited State Solvers#
Algorithms that can find the eigenvalues of an operator, e.g. excited states for chemistry.
The interface for such solvers,
The excited states calculation interface. |
the solvers themselves
The calculation of excited states via an Eigensolver algorithm. |
|
The calculation of excited states via the qEOM algorithm. |
and the specific raw result for the qEOM solver.
The results class for the qEOM algorithm. |
You may also need the following to specify which auxiliary operators to evaluate with qEOM:
An enumeration of the available evaluation rules for the excited states solvers. |
Ground State Solvers#
Algorithms that can find the minimum eigenvalue of an operator, e.g. ground state for chemistry.
The interface for such solvers,
The ground state calculation interface. |
the solvers themselves.
Ground state computation using a minimum eigensolver. |
Initial Points#
When using variational algorithms such as the VQE
it may be necessary to set the initial parameters for the optimizer to a specific value (by default,
the optimizer will start from a random point). This depends on the problem one is trying to solve as
well as the ansatz used to solve the problem. To this extent, the following submodule provides
generator classes for such an initial_point. For more information, refer to the documentation of
the submodule linked below as well as the how-to guides on
using a UCC-like ansatz with a VQE or on
using a UVCC-like ansatz with a VQE for some specific examples.
Initial Points (qiskit_nature.second_q.algorithms.initial_points) |