Beginner
- 1D Harmonic Oscillator The standard textbook harmonic oscillator in one dimension with two non-interacting electrons.
- Optical spectra from time-propagation Absorption spectrum of a molecule from the explicit solution of the time-dependent Kohn-Sham equations: methane
- Convergence of the optical spectra Convergence study of the spectrum with respect to the grid parameters.
- Particle in a box The classic quantum problem of a particle in a box.
- 1D Helium The helium atom in one dimension which also has two electrons.
- Optical spectra from Casida Calculate the absorption spectrum of methane using Casida's equations
- Optical spectra from Sternheimer Calculate optical spectra in the frequency domain from linear response.
- Particle in an octopus 2D systems where the shape of the simulation box is defined by an image file.
- Geometry optimization Determining the geometry of methane.
- Kronig-Penney Model Calculate the bandstructure for Kronig-Penney Model.
- e-H scattering