ffsim.slater_determinant_amplitudes¶
- ffsim.slater_determinant_amplitudes(bitstrings, norb, occupied_orbitals, orbital_rotation)[source]¶
Compute state vector amplitudes for a Slater determinant.
- Parameters:
bitstrings (
Sequence[int] |tuple[Sequence[int],Sequence[int]]) – The bitstrings to return the amplitudes for, in integer representation. In the spinless case this is a list of integers. In the spinful case, this is a pair of lists of equal length specifying the alpha and beta parts of the bitstrings.norb (
int) – The number of spatial orbitals.occupied_orbitals (
Sequence[int] |tuple[Sequence[int],Sequence[int]]) – The occupied orbitals in the electronic configuration. This is either a list of integers specifying spinless orbitals, or a pair of lists, where the first list specifies the spin alpha orbitals and the second list specifies the spin beta orbitals.orbital_rotation (
ndarray|tuple[ndarray,ndarray]) – The orbital rotation describing the Slater determinant. You can pass either a single Numpy array specifying the orbital rotation to apply to both spin sectors, or you can pass a pair of Numpy arrays specifying independent orbital rotations for spin alpha and spin beta.
- Return type:
- Returns:
The amplitudes of the requested bitstrings.