qcschema_to_problem¶

qcschema_to_problem(qcschema, *, basis=ElectronicBasis.MO, include_dipole=True)[source]¶

This method centralizes the construction of an ElectronicStructureProblem from a QCSchema.

Parameters:

qcschema (QCSchema) – the QCSchema object from which to build the problem.
basis (ElectronicBasis) – the ElectronicBasis of the generated problem.
include_dipole (bool) – whether or not to include an ElectronicDipoleMoment property in the generated problem (if the data is available).

Raises:

QiskitNatureError – if either of the required 1- or 2-body electronic integrals are missing.
NotImplementedError – if an unsupported ElectronicBasis is requested.

Returns:

An ElectronicStructureProblem instance.

Return type:

ElectronicStructureProblem