openfermion.hamiltonians.plane_wave_hamiltonian

Returns Hamiltonian as FermionOperator class.

openfermion.hamiltonians.plane_wave_hamiltonian(
    grid: openfermion.utils.Grid,
    geometry: Optional[List[Tuple[str, Tuple[Union[int, float], Union[int, float], Union[
        int, float]]]]] = None,
    spinless: bool = False,
    plane_wave: bool = True,
    include_constant: bool = False,
    e_cutoff: Optional[float] = None,
    non_periodic: bool = False,
    period_cutoff: Optional[float] = None
) -> openfermion.ops.FermionOperator

grid Grid

The discretization to use.

geometry A list of tuples giving the coordinates of each atom. example is [('H', (0, 0, 0)), ('H', (0, 0, 0.7414))]. Distances in atomic units. Use atomic symbols to specify atoms.
spinless bool

Whether to use the spinless model or not.

plane_wave bool

Whether to return in plane wave basis (True) or plane wave dual basis (False).

include_constant bool

Whether to include the Madelung constant.

e_cutoff float

Energy cutoff.

non_periodic bool

If the system is non-periodic, default to False.

period_cutoff float

Period cutoff, default to grid.volume_scale() ** (1. / grid.dimensions)

FermionOperator The hamiltonian.