Schrodinger Solve

Solves the one-dimensional, time independent Schroedinger's equation for a given system and generates files with the energies, potential, wave functions and expectation value of the position of the particles. schrodinger_solve takes a file describing the parameters to use and the potential (see below for file format).

Usage

schrodinger_solve [-h] [-o OUTPUT_DIR] filename

Command line options

positional arguments:
  filename              File describing the system to solve

options:
  -h, --help            show this help message and exit
  -o OUTPUT_DIR, --output-dir OUTPUT_DIR
                        Output directory for the results

Input file format

The input file format consist of a five line header followed by a csv style, two column table describing the potential. Lines in the header that specify multiple parameters are separated by whitespace characters (tab or space). Parameters must be given in a fixed order. Comments discard the rest of the line and may be added with a # character. An empty line is discarded and the next non-empty line specifies the next parameter. A concrete example is given below.

<mass>
<x-min> <x-max> <n-points>
<first-eigenvalue> <last-eigenvalue>
<interpolation-type>
<n>
<x1> <y1>
<x2> <y2>
...
<xn> <yn>

• mass: (real) Mass of the particle
• x-min, x-max: (real) Solution interval

• n-points: (integer) Number of points in the discretization of the solution

  interval

• first-eigenvalue, last-eigenvalue: (integer) Interval of energy eigenvalues to

  generate

Further examples can be found in the subfolders inside test