gem.solvers.solver_template.SolverTemplate.compute_E1loc

SolverTemplate.compute_E1loc(nimp)

Compute the local one-body energy E1loc = Tr[eloc * denmat_impurity]. The one-body Hamiltonian is the one stored by build_Hemb, so it already contains eloc - mu. OPTIONAL: only needed by Fragment.compute_energy.

Parameters:

nimp – int. Number of impurity spin-orbital levels.

Return:

E1loc: float. Local one-body energy.