Absorbing Boundaries
Name ABCapHeight
Section Time-Dependent::Absorbing Boundaries
Type float
Default -0.2 a.u.
When AbsorbingBoundaries = cap, this is the height of the imaginary potential.
Name ABShape
Section Time-Dependent::Absorbing Boundaries
Type block
Set the shape of the absorbing boundaries. Here you can set the inner
and outer bounds by setting the block as follows:
%ABShape
inner | outer | "user-defined"
%
The optional 3rd column is a user-defined expression for the absorbing
boundaries. For example, $r$ creates a spherical absorbing zone for
coordinates with ${\tt inner} < r < {\tt outer}$, and $z$ creates an
absorbing plane.
Note, values outer larger than the box size may lead in these cases to
unexpected reflection behaviours.
If no expression is given, the absorbing zone follows the edges of the
box (not valid for user-defined box).
Name AbsorbingBoundaries
Section Time-Dependent::Absorbing Boundaries
Type flag
Default not_absorbing
To improve the quality of the spectra by avoiding the formation of
standing density waves, one can make the boundaries of the simulation
box absorbing and use exterior complex scaling.
Options:
- not_absorbing:
Reflecting boundaries.
- mask:
Absorbing boundaries with a mask function.
- cap:
Absorbing boundaries with a complex absorbing potential.
- exterior:
Exterior complex scaling (not yet implemented).
Name ABWidth
Section Time-Dependent::Absorbing Boundaries
Type float
Specifies the boundary width. For a finer control over the absorbing boundary
shape use ABShape.