Welcome to MOMAP’s documentation!

Contents:

• Introduction
  • Overview
  • On the subject of photophysical properties
  • Citing MOMAP Photophysics module
  • Citing MOMAP transport module
• Installation
  • Prerequisites
  • Install MOMAP
• Parameters
  • Overview
  • evc group
  • spec_tvcf group
  • ic_tvcf group
  • isc_tvcf group
  • spec_sums
• Electron-Vibration Coupling Calculation
  • Overview
  • Start running calculation
  • Program outputs
• Spectra Calculation
  • Overview
  • Start running calculation
  • Modifying job file
  • Verify convergence of correlation function and obtain results
• Internal Conversion (IC) Rate Constant
  • Overview
  • Calculate non-adiabatic coupling matrix element (NACME)
  • Start running calculation
  • Modifying job file
  • Verify convergence of correlation function and obtain results
• Intersystem crossing (ISC) Calculation
  • Overview
  • Start running calculation
  • Modifying job file
  • Verify convergence of correlation function and obtain results
• Transport
  • Overview
  • Run parameters and Programs
• Theory
  • Overview
  • Harmonic Oscillator Model
  • Optical Absorption and Emission Spectra
  • Internal Conversion Rate
  • Intersystem crossing (ISC)
• Appendix
  • Obtaining information from QC packages