Currently, quantum algorithms for chemistry investigate relatively small molecules. For many of these molecules, the exact ground state can be calculated using full Hamiltonian diagonalization. This can serve as the ground truth for evaluating the results obtained by quantum methods.
solve_exact of the class
GroundStateSolver returns the exact ground state of the molecule.
In the following example we show how get the exact ground state of a hydrogen molecule.
from classiq.interface.chemistry.molecule import Molecule from classiq.interface.chemistry.ground_state_problem import MoleculeProblem from classiq.interface.chemistry.ground_state_solver import GroundStateSolver molecule = Molecule( atoms=[ ("H", (0.0, 0.0, 0.0)), ("H", (0.0, 0.0, 0.735)), ], ) gs_problem = MoleculeProblem( molecule=molecule, mapping="jordan_wigner", ) gs_solver = GroundStateSolver( ground_state_problem=gs_problem, ) exact_result = gs_solver.solve_exact()