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Molecule Problem Result

Executing a ground state molecule problem returns a list of tuples, with the second element providing the following (as a dictionary):

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

nuclear_repulsion_energy: float – The energy of the nucleus in the 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.

vqe_result: Dict[str, Any] – The fields for the VQESolverResult object, received from the VQE execution.