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

Kohn-Sham equations

Density Functional Theory

Introduction As I already revealed in the last post, I intend to have several projects with Density Functional Theory on this blog. I already have a simple project on GitHub, about a ‘quantum dot’1 with volumetric visualization of orbitals with VTK. I thought that exposing some theory in a separate post would be nice for … Read moreDensity Functional Theory

Poisson

Solving Poisson Equation

Introduction When I started this blog I already expected to have projects that use the Fast Fourier Transform. I actually wrote down several topic ideas for the blog, both solving the Poisson equation and the subject this post will lead to were there, too. I already mentioned in the Relaxation Method post that one can … Read moreSolving Poisson Equation

Nuclear Magnetic Resonance and Fourier Transform

Introduction I needed to use Fast Fourier Transform for a project that I’ll implement (hopefully) for this blog. Something quite different from the theme of this post, but I won’t reveal it. Depending on my free time and mood, I might have it working in a week or I might even drop it. I do … Read moreNuclear Magnetic Resonance and Fourier Transform

Lattice Boltzmann Density

Lattice Boltzmann

Introduction It’s time for an easier topic than the last time. I noticed – but I also expected it – that I have more success with projects like the Solar System than with a project like the Numerical Renormalization Group. There are mainly two reasons for it: it looks more spectacular to see a 3D … Read moreLattice Boltzmann