.. _quantum-quantum_common:
quantum/quantum_common.py
=========================
**Description**
Common code for basic electronic structure examples.
It covers only simple single electron problems, e.g. well, oscillator, hydrogen
atom and boron atom with 1 electron - see the corresponding files in this
directory, where potentials (:func:`fun_v()`) as well as exact solutions
(:func:`get_exact()`) for those problems are defined.
Notes
-----
The same code should work also with a 3D (box) mesh, but a very fine mesh would
be required. Also in the 2D case, finer mesh and/or higher approximation order
means higher accuracy.
Try changing C, F and L parameters in ``meshes/quantum/square.geo`` and
regenerate the mesh using gmsh::
gmsh -2 -format mesh meshes/quantum/square.geo -o meshes/quantum/square.mesh
./script/convert_mesh.py -2 meshes/quantum/square.mesh meshes/quantum/square.mesh
The ``script/convert_mesh.py`` call makes the mesh planar, as gmsh saves 2D
medit meshes including the zero z coordinates.
Also try changing approximation order ('approx_order') of the field below.
Usage Examples
--------------
The following examples are available and can be run using the `simple.py`
script::
python simple.py examples/quantum/boron.py
python simple.py examples/quantum/hydrogen.py
python simple.py examples/quantum/oscillator.py
python simple.py examples/quantum/well.py
:download:`source code `
.. literalinclude:: /../examples/quantum/quantum_common.py