Quantum-bound-states

(1D only)

Finds out all eigenfunctions which are localized within a certain region where one expects bound states for example. The quantum states are specified by a certain threshold fraction of psi within the region [x-left; x-right]. This is necessary for large quantum regions which extend far beyond the region of interest and therefore have many irrelevant eigenstates.

!--------------------------------------------------------------!
$quantum-bound-states                                 optional !
 set-number                         integer           required !
 quantum-region                     integer           optional !
 num-schroedinger-equation          integer           optional !
 charge                             character         optional !
 x-left                             double            optional !
 x-right                            double            optional !
 threshold                          double            optional !
$end_quantum-bound-states                             optional !
!--------------------------------------------------------------!

Syntax:

set-number = 1

Number to distinguish different sets of localized states, has to be in ascending order.

 

quantum-region = 1

Number of quantum region in which to look for localized states.

 

num-schroedinger-equation =1 

Number of Schrödinger equation in which to look for localized states.

 

charge = el / hl

Flag whether electrons or holes are regarded.

 

x-left = 124d0

Left boundary of localization region.

 

x-right = 124d0

Right boundary of localization region.

 

threshold = 0.6d0

Minimum fraction of amplitude squared of certain eigenstate within [x-left;x-right] to be regarded as localized state.