Two particle excitations
This Tutorial: what will you learn
You will learn how to set up and run calculations to get optical absorption spectrum by using the Bethe-Salpeter equation starting from a previously calculated electronic structure. In addition you will learn to use post-processing tools to analyze the excitons and special numerical treatment needed for low dimensional materials.
Before starting: what do you need
- If you are not familiar with the Bethe-Salpeter equation and/or optical response in periodic systems, you are encouraged to ADD BACKGROUND MATERIAL LINKS
- We suppose you know already how to generate the Yambo databases and familiar with the input, output and command line interface.
- In the Bethe-Salpeter equation the quasiparticle energies are used, we then recommend to complete the GW tutorial even though not strictly needed.
Tutorial modules:
This tutorial consists in four parts:
On bulk h-BN:
- How to obtain an optical spectrum - a guide through the workflow of calculations
- How to choose the input parameters - relevant input parameters you need to determine by convergence studies
On 2D h-BN monolayer:
- How to treat low dimensional systems - numerical issues and remedies for low dimensional systems
- How to analyse excitons - analysis and visualization of the excitons