Molecular wave functions, SIRIUS

• General notes for the SIRIUS input reference manual
• Main input groups in the **WAVE FUNCTIONS input module
  • **WAVE FUNCTIONS
  • *AUXILLIARY INPUT
  • *CI INPUT
  • *CI VECTOR
  • *CONFIGURATION INPUT
  • *HAMILTONIAN
  • *HF INPUT
  • *MP2 INPUT
  • *OPTIMIZATION
  • *ORBITAL INPUT
  • *POPULATION ANALYSIS
  • *PRINT LEVELS
  • *SOLVENT INPUT
  • *STEP CONTROL
  • *TRANSFORMATION
• **MOLORB input module