Documentation¶
The Hubbard-I solver approximates the solution of the impurity model by neglecting any hybridization and solving an atomic problem. The atomic problem is defined by the local interaction Hamiltonian and the orbital dependent high-frequency behavior of the non-interacting bath Green’s function.
Table of Contents¶
Python reference manual¶
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class
triqs_hubbardI.
Solver
(beta, gf_struct, n_iw=1025, n_tau=10001, n_l=30, n_w=500, w_min=-15, w_max=15, idelta=0.01)[source]¶ Class providing initialization and solve function. Contains all relevant Greensfunctions and self energy.
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__init__
(beta, gf_struct, n_iw=1025, n_tau=10001, n_l=30, n_w=500, w_min=-15, w_max=15, idelta=0.01)[source]¶ Initialise the solver.
Parameters: beta : scalar
Inverse temperature.
gf_struct : list of pairs [ (str,[int,…]), …]
Structure of the Green’s functions. It must be a list of pairs, each containing the name of the Green’s function block as a string and a list of integer indices. For example:
[ ('up', [0, 1, 2]), ('down', [0, 1, 2]) ]
.n_iw : integer, optional
Number of Matsubara frequencies used for the Green’s functions.
n_tau : integer, optional
Number of imaginary time points used for the Green’s functions.
n_l : integer, optional
Number of legendre polynomials used for the Green’s functions.
n_w : integer, optional
Number of real frequency points used for the Green’s functions.
w_min : integer, optional
Lower limit of the range of real frequencies
w_max : integer, optional
Upper limit of the range of real frequencies
idelta : float, optional
Broadening of Green’s function on real frequencies
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solve
(**params_kw)[source]¶ Solve the impurity problem: calculate G(iw) and Sigma(iw)
Parameters: params_kw : dict {‘param’:value} that is passed to the core solver.
- Only required parameter is
- h_int (Operator object): the local Hamiltonian of the impurity problem to be solved,
- Other parameters are
- calc_gtau (bool): calculate G(tau)
- calc_gw (bool): calculate G(w) and Sigma(w)
- calc_gl (bool): calculate G(legendre)
- calc_dm (bool): calculate density matrix
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