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:
- rhonumpy 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_orbint
number of orbitals per spin channel
- spin_nameslist 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)