5. Advanced Examples and Annexes

• 5.1. Examples
  • 5.1.1. Computing high symmetry molecules
  • 5.1.2. Geometry optimizations and Hessians
  • 5.1.3. Computing a reaction path
  • 5.1.4. High quality wave functions at optimized structures
  • 5.1.5. Excited states
  • 5.1.6. Solvent models
  • 5.1.7. Computing relativistic effects in molecules
• 5.2. Annexes
  • 5.2.1. Extra information about basis sets and integrals
  • 5.2.2. Core and Embedding Potentials within the SEWARD Program