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GroundStateResult Class

The solve method of the GroundStateSolver class returns a GroundStateResult object. Its properties and methods are described below.

properties

energy: [float] - The energy reached by VQE, i.e. the electronic part of energy in Born-Oppenheimer approximation.

nuclear_repulsion_energy: [float] - The energy of the nucleus in Born-Oppenheimer approximation.

total_energy: [float] - The total energy of the molecule, i.e. the sum over nuclear_repulsion_energy and energy.

hartree_fock_energy: [float] - The energy in the Hartree-Fock approximation.

ground_state: Dict[str, Complex] - The amplitudes of the computational basis states in the ground state. The amplitudes are complex only when using statevector simulators, otherwise they represent the absolute value of the amplitudes.

optimal_parameters: Dict[str, float] - The optimal parameters values reached by VQE.

intermediate_results: List[VQEIntermediateData] - Data stored from the intermediate iterations.

energy_std: [float] - The evaluated standard deviation.

Methods

show_convergence_graph() - Displays the energy vs. iteration number graph.