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 state vector 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.