triqs_cthyb.multiplet_tools.multiplet_analysis

triqs_cthyb.multiplet_tools.multiplet_analysis(rho, h_loc_diag, n_orb, spin_names=['up', 'down'], off_diag=True)[source]

Computes operator expectation values from measured density matrix and h_loc_diag object from cthyb solver.

Measures N, Sz, S(S+1), constructs eigenstates in Fock state basis, assigns the according probabilities from rho for all impurity eigenstates, and stores the data in a Panda DataFrame. For more information check the guide in the documentation of cthyb regarding Multiplet analysis & particle number histograms.

Warning: function assumes that N, Sz, and S(S+1) are good quantum numbers, labeling the eigenstates of the system.

Parameters:

rho : numpy array

measured density matrix from cthyb or equivalent solver, structured in subspaces

h_loc_diag: triqs atom_diag object :

contains information about the local Hamiltonian (Hloc_0 + H_int)

n_orb : int

number of orbitals per spin channel

spin_names : list of string

list of strings containing the spin channel names

off_diag: boolean :

determines whether blocks of Gf are named up_0 (false) or just up (true)