H-Kr Cross Section

Quantum Scattering

Introduction I have a project on GitHub about Quantum Scattering1 on a Lennard-Jones potential. The idea is from chapter 2 of a book2 I already mentioned on this blog. For this project I won’t put theory here, but refer you to the book instead. It’s a very good book, it’s worth having. I don’t know … Read moreQuantum Scattering

Competitive Lotka-Volterra

Chaos

Introduction People never cease to amaze me. By that I mean both laymen and ‘scientists’. I’ve seen many opinions of laymen about some sort of a ‘balance’ existing in all sorts of systems that no knowledgeable individual could claim to be in equilibrium. I’ve seen pretenses that the evil and sinning humans are ‘disrupting’ that … Read moreChaos

Diamond band structure

Tight Binding

Introduction There are many methods to calculate band structures of crystals. I implemented the Empirical Pseudopotential project, some of the code can be reused for other methods. One of the methods is simple and fast, the tight binding method, so I simply took the code from the last project, cut a part out and modified … Read moreTight Binding

Ge band structure

Empirical Pseudopotential

Introduction I did not write anything on the blog for a long time. I was very busy, I had less time for it. Nevertheless, I did some work on some projects related with it. One of them, a DFT program that calculates a molecule with the supercell method, was supposed to be the theme for … Read moreEmpirical Pseudopotential

d orbital

DFT for a Quantum Dot

Introduction This post is describing another project that is leading (hopefully) towards something a little more serious: DFT Quantum Dot1. It will be a very short description because it’s Sunday. As usual, here is the program in action: It displays the quantum dot ‘orbitals’ with VTK volume rendering. Do not assign much physical reality to … Read moreDFT for a Quantum Dot