qiskit.chemistry.drivers.FermionicDriver

class FermionicDriver(molecule=None, basis='sto3g', hf_method='rhf', supports_molecule=False)

Base class for Qiskit’s chemistry fermionic drivers.

Parameter

• molecule (Optional[Molecule]) – molecule

• basis (str) – basis set

• hf_method (str) – Hartree-Fock Method type

• supports_molecule (bool) – Indicates if driver supports molecule

Verursacht

QiskitChemistryError – Molecule passed but driver doesn’t support it.

abstract __init__(molecule=None, basis='sto3g', hf_method='rhf', supports_molecule=False)

Parameter

• molecule (Optional[Molecule]) – molecule

• basis (str) – basis set

• hf_method (str) – Hartree-Fock Method type

• supports_molecule (bool) – Indicates if driver supports molecule

Verursacht

QiskitChemistryError – Molecule passed but driver doesn’t support it.

Methods

__init__([molecule, basis, hf_method, …])	type molecule Optional[Molecule]
run()	Runs driver to produce a QMolecule output.

Attributes

basis	return basis
hf_method	return Hartree-Fock method
molecule	return molecule
supports_molecule	True for derived classes that support Molecule.

property basis

return basis

Rückgabetyp

str

property hf_method

return Hartree-Fock method

Rückgabetyp

str

property molecule

return molecule

Rückgabetyp

Optional[Molecule]

abstract run()

Runs driver to produce a QMolecule output.

Rückgabetyp

QMolecule

Rückgabe

A QMolecule containing the molecular data.

property supports_molecule

True for derived classes that support Molecule.

Rückgabetyp

bool

Rückgabe

True if Molecule is supported.