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exercises:2019_conexs_newcastle:index

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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

Exercises

  1. Connecting to the cluster
  2. Single H2O molecule: DFT basics
  3. Trimethylaluminium Al2(CH3)6: LR-TDDFT for XAS
  4. MgS and MgO: Periodic systems and XAS
  5. Liquid water: Molecular Dynamics and XAS
exercises/2019_conexs_newcastle/index.1568135077.txt.gz · Last modified: 2020/08/21 10:15 (external edit)