ffsim.MolecularHamiltonianSpinless¶

class ffsim.MolecularHamiltonianSpinless(one_body_tensor, two_body_tensor, constant=0.0)[source]¶

A spinless molecular Hamiltonian.

A Hamiltonian of the form

\[H = \sum_{pq} h_{pq} a^\dagger_{p} a_{q} + \frac12 \sum_{pqrs} h_{pqrs} a^\dagger_{p} a^\dagger_{r} a_{s} a_{q} + \text{constant}.\]

Here \(h_{pq}\) is called the one-body tensor and \(h_{pqrs}\) is called the two-body tensor.

one_body_tensor¶

The one-body tensor.

two_body_tensor¶

The two-body tensor.

constant¶

The constant.

Methods

rotated(orbital_rotation)

Return the Hamiltonian in a rotated orbital basis.

Attributes