CONEXS Summer School

Exercises and slides for the CONEXS summer school at Newcastle University, 10-12 September 2019

Slides

Linear-response TDDFT for XAS

XPS, XES, and AIMD

DFT and XAS

Exercises

  1. Connecting to the cluster
  2. Single H$_2$O molecule: DFT basics
  3. Trimethylaluminium Al$_2$(CH$_3$)$_6$: LR-TDDFT for XAS
  4. MgS and MgO: Periodic systems and XAS
  5. Liquid water: Spectra broadening and MD