Table of Contents


Slide 1: Introduction Slide 2: Why Computational Chemistry? Slide 3: Basic Quantum Chem Slide 4: Computational Chemistry
Slide 5: Schrodinger's Equation Slide 6: Schrodinger's Equation Slide 7: Schrodinger's Equation Slide 8: Schrodinger's Equation
Slide 9: Molecular Hamiltonian Slide 10: Born-Oppenheimer Approximation Slide 11: Born-Oppenheimer Approximation Slide 12: Hartree-Fock Theory
Slide 13: Atomic Orbitals Slide 14: Molecular Orbitals Slide 15: Today's Computational Problem Slide 16: Application: Quantum Chem
Slide 17: Application: Quantum Chem Slide 18: Application: Quantum Chem Slide 19: Application: Quantum Chem Slide 20: Computational Tools
Slide 21: GAMESS Slide 22: vi editor Slide 23: AVS Slide 24: Logging On
Slide 25: Logging On Slide 26: Basic UNIX Slide 27: Basic UNIX Slide 28: Basic UNIX
Slide 29: UNIX Summary Sheet Slide 30: LiH Input Slide 31: Running GAMESS Slide 32: Transfering Files
Slide 33: Modifying the Dataset Slide 34: AVS Header file Slide 35: Manipulating AVS Slide 36: Navigating AVS
Slide 37: AVS Network Slide 38: References

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