HOWTOs

• Full configuration interaction
  • Running the test cases
• ACI: Adaptive Configuration Interaction
  • Theory
  • A Few Practical Notes
  • A First Example
  • Computing Excited States with ACI
  • ACI Options
• MCSCF: Multi-Configuration Self-Consistent Field
  • Theory
  • Implementation
  • Input Example
  • Options
• Driven Similarity Renormalization Group
  • Basics of DSRG
  • Theoretical Variants and Technical Details
  • Density Fitted (DF) and Cholesky Decomposition (CD) Implementations
  • MR-DSRG Approaches for Excited States
  • TODOs
  • A Complete List of DSRG Teset Cases
  • References
• Active Space Embedding Theory
  • Simple active space frozen-orbital embedding
• Atomic Valence Active Space (AVAS)
  • Overview
  • Input Example
  • Options
  • Citation Reference
• Plotting MOs
  • Generating cube files
  • Reading, manipulating, and saving cube files
  • Plotting cube files
  • Generating cube files
• Forte Python API Tutorial (NEW)
  • Creating the input node
  • Hartree–Fock theory
  • FCI and CASCI