TRIQS/TRIQS 4.0.0
Researching Interacting Quantum Systems
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gf.hpp
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1// Copyright (c) 2017-2018 Commissariat à l'énergie atomique et aux énergies alternatives (CEA)
2// Copyright (c) 2017-2018 Centre national de la recherche scientifique (CNRS)
3// Copyright (c) 2018-2023 Simons Foundation
4// Copyright (c) 2017 Igor Krivenko
5//
6// This program is free software: you can redistribute it and/or modify
7// it under the terms of the GNU General Public License as published by
8// the Free Software Foundation, either version 3 of the License, or
9// (at your option) any later version.
10//
11// This program is distributed in the hope that it will be useful,
12// but WITHOUT ANY WARRANTY; without even the implied warranty of
13// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14// GNU General Public License for more details.
15//
16// You may obtain a copy of the License at
17// https://www.gnu.org/licenses/gpl-3.0.txt
18//
19// Authors: Michel Ferrero, Igor Krivenko, Olivier Parcollet, Nils Wentzell
20
25
26#pragma once
27
28#include "./atom_diag.hpp"
29#include "../arrays.hpp"
30#include "../gfs.hpp"
31
32#include <utility>
33#include <vector>
34
35namespace triqs::atom_diag {
36
37 using namespace triqs::gfs;
38
43
57 template <bool Complex> using gf_scalar_lehmann_t = std::vector<std::pair<double, typename atom_diag<Complex>::scalar_t>>;
58
66 template <bool Complex> using gf_lehmann_t = std::vector<matrix<gf_scalar_lehmann_t<Complex>>>;
67
74 using excluded_states_t = std::vector<std::pair<int, int>>;
75
90 template <bool Complex>
92 excluded_states_t excluded_states = {});
93
108 template <bool Complex> block_gf<imtime> atomic_g_tau(gf_lehmann_t<Complex> const &lehmann, gf_struct_t const &gf_struct, imtime const &mesh);
109
126 template <bool Complex>
127 block_gf<imtime> atomic_g_tau(atom_diag<Complex> const &atom, double beta, gf_struct_t const &gf_struct, int n_tau,
128 excluded_states_t const &excluded_states = {});
129
144 template <bool Complex> block_gf<imfreq> atomic_g_iw(gf_lehmann_t<Complex> const &lehmann, gf_struct_t const &gf_struct, imfreq const &mesh);
145
163 template <bool Complex>
164 block_gf<imfreq> atomic_g_iw(atom_diag<Complex> const &atom, double beta, gf_struct_t const &gf_struct, int n_iw,
165 excluded_states_t const &excluded_states = {});
166
181 template <bool Complex> block_gf<legendre> atomic_g_l(gf_lehmann_t<Complex> const &lehmann, gf_struct_t const &gf_struct, legendre const &mesh);
182
199 template <bool Complex>
200 block_gf<legendre> atomic_g_l(atom_diag<Complex> const &atom, double beta, gf_struct_t const &gf_struct, int n_l,
201 excluded_states_t const &excluded_states = {});
202
220 template <bool Complex>
221 block_gf<refreq> atomic_g_w(gf_lehmann_t<Complex> const &lehmann, gf_struct_t const &gf_struct, refreq const &mesh, double broadening = 0);
222
245 template <bool Complex>
246 block_gf<refreq> atomic_g_w(atom_diag<Complex> const &atom, double beta, gf_struct_t const &gf_struct,
247 std::pair<double, double> const &energy_window, int n_w, double broadening = 0,
248 excluded_states_t const &excluded_states = {});
249
251
252} // namespace triqs::atom_diag
gf_struct_t gf_struct() const
Get the block structure.
Backward-compatibility umbrella header pulling in the nda array library.
Provides a lightweight exact diagonalization solver for fermionic Hamiltonians.
Lightweight exact diagonalization solver for finite fermionic Hamiltonians.
Definition atom_diag.hpp:91
The owning block Green's function container.
Definition block_gf.hpp:259
Imaginary frequency mesh type.
Definition imfreq.hpp:102
Imaginary time mesh type.
Definition imtime.hpp:68
Legendre mesh type.
Definition legendre.hpp:76
Real frequency mesh type.
Definition refreq.hpp:72
Umbrella header for the Green's function library.
std::vector< matrix< gf_scalar_lehmann_t< Complex > > > gf_lehmann_t
Lehmann representation of a block matrix-valued Green's function.
Definition gf.hpp:66
std::vector< std::pair< int, int > > excluded_states_t
List of excluded eigenstates.
Definition gf.hpp:74
block_gf< legendre > atomic_g_l(gf_lehmann_t< Complex > const &lehmann, gf_struct_t const &gf_struct, legendre const &mesh)
Build the atomic Green's function in the Legendre basis from a precomputed Lehmann representation.
block_gf< refreq > atomic_g_w(gf_lehmann_t< Complex > const &lehmann, gf_struct_t const &gf_struct, refreq const &mesh, double broadening=0)
Build the atomic retarded Green's function on a real-frequency mesh from a precomputed Lehmann repres...
block_gf< imtime > atomic_g_tau(gf_lehmann_t< Complex > const &lehmann, gf_struct_t const &gf_struct, imtime const &mesh)
Build the atomic imaginary-time Green's function from a precomputed Lehmann representation.
block_gf< imfreq > atomic_g_iw(gf_lehmann_t< Complex > const &lehmann, gf_struct_t const &gf_struct, imfreq const &mesh)
Build the atomic Matsubara Green's function from a precomputed Lehmann representation.
gf_lehmann_t< Complex > atomic_g_lehmann(atom_diag< Complex > const &atom, double beta, gf_struct_t const &gf_struct, excluded_states_t excluded_states={})
Build the Lehmann representation of the atomic Green's function.
Definition gf.cpp:108
std::vector< std::pair< double, typename atom_diag< Complex >::scalar_t > > gf_scalar_lehmann_t
Lehmann representation of a single matrix element of the Green's function.
Definition gf.hpp:57
std::vector< std::pair< std::string, long > > gf_struct_t
Type describing the structure of a block Green's function.
Definition gf_struct.hpp:41