QiskitSolver.kernel#

QiskitSolver.kernel(h1, h2, norb, nelec, ci0=None, ecore=0, **kwargs)[source]#

Finds the ground-state of the provided Hamiltonian.

Parameters:

  • h1 (np.ndarray | tuple[np.ndarray, np.ndarray]) – the one-body integrals. If this is a tuple, it indicates the alpha- and beta-spin coefficients, respectively.

  • h2 (np.ndarray | tuple[np.ndarray, np.ndarray, np.ndarray]) – the two-body integrals in chemists index ordering. If this is a tuple, it indicates the alpha-alpha-, alpha-beta-, and beta-beta-spin integrals, respectively.

  • norb (int) – the number of (active) orbitals.

  • nelec (int | tuple[int, int]) – the number of (active) electrons. If this is an integer, it is the total number of electrons; if it is a tuple, it indicates the alpha- and beta-spin particles, respectively.

  • ci0 – the initial CI vector. (Currently ignored!)

  • ecore (float) – the core (inactive) energy.

  • kwargs – any additional keyword arguments. (Currently ignored!)

Returns:

The pair of total evaluated energy (including ecore) and a reference to this QiskitSolver itself.

Return type:

tuple[float, QiskitSolver]