fqe.diagonal_hamiltonian.Diagonal

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One-body diagonal Hamiltonian class. Diagonal Hamiltonians are defined as

Inherits From: Hamiltonian

fqe.diagonal_hamiltonian.Diagonal(
    hdiag: "Nparray",
    e_0: complex = (0.0 + 0.0j)
) -> None

those that are diagonal in the Slater determinant space, namely,

.. math:: \langle I|\hat{H}|J\rangle = pI \delta{IJ}

where I and J are Slater determinants, and p is some phase. Generally such Hamiltonians can be written as

.. math:: \hat{H} = = E_0 + \sumr h{rr} a_r^\dagger a_r

Methods

calc_diag_transform

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calc_diag_transform() -> np.ndarray

Performs a unitary digaonlizing transformation of the one-body term and returns that transformation.

conserve_number

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conserve_number() -> bool

Returns True if the Hamiltonian is number conserving, else False.

diag_values

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diag_values() -> np.ndarray

Returns the diagonal values packed into a single dimension.

diagonal

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diagonal() -> bool

Returns whether or not the Hamiltonian is diagonal.

diagonal_coulomb

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diagonal_coulomb() -> bool

Returns True if the Hamiltonian is diagonal coloumb, else False.

dim

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dim() -> int

Returns the orbital dimension of the Hamiltonian arrays.

e_0

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e_0()

Returns the scalar potential of the Hamiltonian.

iht

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iht(
    time: float
) -> "Diagonal"

Returns the matrices of the Hamiltonian prepared for time evolution.

quadratic

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quadratic() -> bool

Returns whether or not the Hamiltonian is quadratic.

rank

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rank() -> int

Returns the rank of the largest tensor.

tensors

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tensors() -> Tuple[np.ndarray, ...]

Returns all tensors in order of their rank.

transform

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transform(
    trans: np.ndarray
) -> np.ndarray

Tranform the one body term using the provided matrix.