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
Args |
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)
|
Returns |
FermionOperator
|
The hamiltonian.
|