qiskit.chemistry.drivers.Molecule.relative_stretching

classmethod Molecule.relative_stretching(perturbation, geometry, atom_pair)

Parameters

• perturbation (float) – The magnitude of the stretch. (New distance = stretch * old distance)

• geometry (List[Tuple[str, List[float]]]) – The initial geometry to perturb.

• atom_pair (Tuple[int, int]) – A tuple with two integers, indexing which atoms from the starting geometry should be stretched apart. Atom1 is stretched away from Atom2, while Atom2 remains stationary.

Return type

List[Tuple[str, List[float]]]

Returns

end geometry