Features

• Available Features in LITESOPH
  • Simulations of Photo-Induced Properties using LITESOPH
    • Absorption Spectrum
    • Kohn-Sham Decomposition (KSD)
    • Molecular Orbital (MO) Population
    • LASER Simulation
      • LASER Masking approach to study energy transfer using RT-TDDFT approach
    • References
  • Trajectory Surface Hopping (upcoming)
  • Effects of spin-orbit interactions (upcoming)
  • RT-TDDFT with QM/MM method (upcoming)
  • Normal Mode analysis (upcoming)

• Independent Tasks Based
  • Ground State
    • Basic
    • Convergence
    • Advanced
  • RT-TDDFT
    • Delta kick Inputs
    • Laser Design tools
    • Laser design
    • Masking
    • Properties
  • Compute Spectrum
  • Post processing and visualization
    • Dipole moment analysis
    • Compute TAS

• Workflows Based
  • Spectrum
  • Averaged Spectrum
  • KSD
    • Compute KSD
  • Molecular Orbital (MO) Population
    • Compute MO Population
  • Laser-Masking
  • Pump-probe