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exercises:2019_conexs_newcastle:index

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
exercises/2019_conexs_newcastle/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1