Topic: HF, post-HF, CI, CC, dynamic correlations, MOPAC

Download these files. Be prepared: MOPAC is needed 

Lecture slides 


  • Lab 1 for benzene (MOPAC)
  • The simplest model of chemical bond (2c2e model):
    • Calculate dissociation curve of diatomic molecule using RHF, UHF, and CASSCF with the minimal basis set [H2]
    • Discuss the results in terms of generic 2c2e model


  • Jensen 4.1-4.10
  • Cramer 7.1-7.5
  • Szabo chapters 4-6