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Programming Tutorial in Chemistry

Python Version

Current completed projects:

  • Project 1: Molecular Geometry Analysis
  • Project 2: Harmonic Vibrational Analysis
  • Project 3: HF-SCF
  • Project 4: MP2 Energy
  • Project 5: CCSD Energy
  • Project 6: CCSD(T) Energy
  • Project 8: DIIS extrapolation for SCF(In Progress)