Cours : Teorie srážek atomů a molekul, Semaine : 14. února - 17. března | DL 1

DL 1

Section outline

- Select activity Born-Oppenheimer approximation
  
  Born-Oppenheimer approximation Fichier
- Select activity Hartree-Fock approximation
  
  Hartree-Fock approximation Fichier
- Select activity Roothan equations, UHF, RHF
  
  Roothan equations, UHF, RHF Fichier
- Select activity Introduction to basis sets
  
  Introduction to basis sets Fichier
- Select activity Koopman's theorems, Slater-Condon rules, MP2
  
  Koopman's theorems, Slater-Condon rules, MP2 Fichier
- Select activity Method of Configuration Interaction
  
  Method of Configuration Interaction Fichier
- Select activity Exercise 1
  
  Exercise 1 Devoir