Theoretical Chemistry I
Physical Chemistry IV - Statistical Thermodynamics in Real Chemical Systems
Lecture: Informations can be found under Stud.IP.
Meodern Methods in Physical Chemistry for Investigation of Condense Matter
Informations can be found under Stud.IP.
This tool simulates the quantum tunneling effect and is based on the exact solution of the full (non-normalized) wavefunction of a particle travelling in infinite linear space towards a rectangular potential energy barrier. A part of the wavefunction is reflected while depending on height and width of the barrier another part may travel through the barrier and exist behind it even if the kinetic energy of the particle is insufficient to pass the barrier in the classical sense.
The script allows the variation of the kinetic energie or de Broglie wavelength as well as the barrier's height and length. It computes the relative amplitudes of all partial wavefunctions, the probability density before, within, and after the barrier. Furthermore, it calculates the transmission probability as a function of the barrier's height and width, respectively, while all other parameters are kept constant.
The script runs under Matlab (written in R2018b). Usage and distribution is allowed under the Creative Commons – Attribution 4.0 International (CC-BY 4.0) license.
Download: Current version: V1.0 (14.05.2020)