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 |