ffsim.hartree_fock_state

ffsim.hartree_fock_state(norb, nelec)[source]

Return the Hartree-Fock state.

Parameters:
  • norb (int) – The number of spatial orbitals.

  • nelec (int | tuple[int, int]) – Either a single integer representing the number of fermions for a spinless system, or a pair of integers storing the numbers of spin alpha and spin beta fermions.

Return type:

ndarray

Returns:

The Hartree-Fock state as a state vector.