ffsim.simulate_trotter_double_factorized

ffsim.simulate_trotter_double_factorized(vec, hamiltonian, time, *, norb, nelec, n_steps=1, order=0, copy=True)[source]

Double-factorized Hamiltonian simulation using Trotter-Suzuki formula.

Parameters:

  • vec (ndarray) – The state vector to evolve.

  • hamiltonian (DoubleFactorizedHamiltonian) – The Hamiltonian.

  • time (float) – The evolution time.

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

  • nelec (tuple[int, int]) – The number of alpha and beta electrons.

  • n_steps (int) – The number of Trotter steps.

  • order (int) – The order of the Trotter decomposition.

  • copy (bool) –

    Whether to copy the vector before operating on it.

    • If copy=True then this function always returns a newly allocated vector and the original vector is left untouched.

    • If copy=False then this function may still return a newly allocated vector, but the original vector may have its data overwritten. It is also possible that the original vector is returned, modified in-place.

Return type:

ndarray

Returns:

The final state of the simulation.