3
0
mirror of https://github.com/triqs/dft_tools synced 2024-11-01 03:33:50 +01:00
dft_tools/doc/reference/c++/gf/gf_imtime.rst

128 lines
3.5 KiB
ReStructuredText
Raw Normal View History

2013-08-22 16:55:51 +02:00
.. highlight:: c
.. _gf_imtime:
Matsubara imaginary time
==========================================================
2013-08-22 16:55:51 +02:00
This is a specialisation of :ref:`gf<gf_and_view>` for imaginary Matsubara time.
Synopsis
------------
.. code::
gf<imtime, Target, Opt>
The *Target* template parameter can take the following values :
2013-08-22 16:55:51 +02:00
+-------------------------+-----------------------------------------------------+
| Target | Meaning |
+=========================+=====================================================+
| scalar_valued | The function is scalar valued (double, complex...). |
+-------------------------+-----------------------------------------------------+
| matrix_valued [default] | The function is matrix valued. |
+-------------------------+-----------------------------------------------------+
2013-08-22 16:55:51 +02:00
Domain & mesh
----------------
The domain is the set of real numbers between 0 and :math:`\beta`
since the function is periodic (resp. antiperiodic) for bosons (resp. fermions), i.e.
* :math:`G(\tau+\beta)=-G(\tau)` for fermions
* :math:`G(\tau+\beta)=G(\tau)` for bosons.
The domain is implemented in the class :doxy:`matsubara_time_domain<triqs::gfs::matsubara_domain>`.
The mesh is :doxy:`matsubara_time_mesh<triqs::gfs::matsubara_time_mesh>`.
2013-08-22 16:55:51 +02:00
Singularity
-------------
The singularity is a high frequency expansion, :ref:`gf_tail`.
Evaluation method
2013-08-22 16:55:51 +02:00
---------------------
* Use a linear interpolation between the two closest point of the mesh.
* Return type :
* If Target==scalar_valued : a complex
* If Target==matrix_valued : an object modeling ImmutableMatrix concept.
* When the point is outside of the mesh, the evaluation of the gf returns :
* the evaluation of the high frequency tail if no_tail is not set.
* 0 otherwise
2013-09-18 15:13:23 +02:00
2013-08-22 16:55:51 +02:00
Data storage
---------------
* If Target==scalar_valued :
* `data_t` : 1d array of complex<double>.
* g.data()(i) is the value of g for the i-th point of the mesh.
* If Target==matrix_valued :
* `data_t` : 3d array (C ordered) of complex<double>.
* g.data()(i, range(), range()) is the value of g for the i-th point of the mesh.
2013-09-18 15:13:23 +02:00
TO DO : complex OR DOUBLE : FIX and document !!
2013-08-22 16:55:51 +02:00
HDF5 storage convention
---------------------------
2013-09-18 15:13:23 +02:00
h5 tag : `ImTime`
2013-08-22 16:55:51 +02:00
Examples
---------
2013-09-18 15:13:23 +02:00
.. compileblock::
#include <triqs/gfs.hpp>
using namespace triqs::gfs;
2013-09-18 15:13:23 +02:00
int main(){
double beta=10, a = 1;
int n_times=1000;
// --- first a matrix_valued function ------------
2013-09-18 15:13:23 +02:00
// First give information to build the mesh, second to build the target
auto g1 = gf<imtime, matrix_valued, no_tail> { {beta,Fermion,n_times}, {1,1} };
2013-09-18 15:13:23 +02:00
// or a more verbose/explicit form ...
auto g2 = gf<imtime> { gf_mesh<imtime>{beta,Fermion,n_times}, make_shape(1,1) };
// Filling the gf with something... COMMENT HERE : ok only because of no_tail
triqs::clef::placeholder<0> tau_;
g1(tau_) << exp ( - a * tau_) / (1 + exp(- beta * a));
// evaluation at tau=3.2
std::cout << triqs::arrays::make_matrix(g1(3.2)) << " == "<< exp ( - a * 3.2) / (1 + exp(- beta * a)) << std::endl;
// --- a scalar_valued function ------------
2013-09-18 15:13:23 +02:00
// same a before, but without the same of the target space ...
auto g3 = gf<imtime, scalar_valued, no_tail> { {beta,Fermion,n_times} };
g3(tau_) << exp ( - a * tau_) / (1 + exp(- beta * a));
2013-08-22 16:55:51 +02:00
// evaluation at tau=3.2
std::cout << g3(3.2) << " == "<< exp ( - a * 3.2) / (1 + exp(- beta * a)) << std::endl;
2013-09-18 15:13:23 +02:00
}
2013-08-22 16:55:51 +02:00