adapt.of_translator

Module Contents

Functions

of_from_arrays(_0body, _1body, I, N_e[, unpaired, ...])

Compute sparse matrices for ADAPT
adapt.of_translator.of_from_arrays(_0body, _1body, I, N_e, unpaired=0, n_qubits=None, occupied=None, unoccupied=None)[source]

Compute sparse matrices for ADAPT

Parameters:

  • _0body (float) – Nuclear repulsion energy

  • _1body, I (numpy array) – 1- and 2-electron integrals

  • N_e (int) – Number of electrons

  • unpaired (int) – Number of unpaired electrons

Returns:

  • hamiltonian, ref (scipy sparse matrix) – Hamiltonian, reference wfn

  • N_qubits (int) – Number of qubits

  • S2, Sz, number_operator (scipy sparse matrix) – S^2, S_z, and number operators