Home

Forte is an open-source suite of quantum chemistry methods for strongly correlated electrons.

Contents:

• Overview
  • Capabilities
  • Dependencies
• Tutorials
  • Compiling and running Forte
  • Running Forte computations
  • Specifying a wave function in Forte
  • Specifying calculations of multiple states
  • Examples of advanced Forte computations
  • Selecting two-electron integral types
  • Reading integrals in a spin orbital basis
• HOWTOs
  • Full configuration interaction
  • ACI: Adaptive Configuration Interaction
  • MCSCF: Multi-Configuration Self-Consistent Field
  • Driven Similarity Renormalization Group
  • Active Space Embedding Theory
  • Atomic Valence Active Space (AVAS)
  • Plotting MOs
  • Forte Python API Tutorial (NEW)
• Programmer’s Manual
  • Writing Forte’s documentation
  • Psi4
• Forte’s Python API
  • Molecule
  • Basis set
  • Molecular model
  • Results
  • Solver class
  • Hartree-Fock solver
  • Callback handler
• List of Forte options