Introduction

NAMD-LMI is a subset of Hefei-NAMD with light-matter interaction (LMI) support.

Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program to investigate the ultrafast excited carrier dynamics in real and momentum space, energy and time scale.

Now NAMD-LMI is capable to

• Study carrier dynamics in real space and energy relaxation without laser field at finite temperture;
• Study photo-excitaion process and stimulated emission process and carrier dynamics in the laser field at zero temperature;
• Study carrier dynamics both under the perturbation of phonon and LMI.

You may need watch the former tutorials to learn the basic concept and procedures of Hefei-NAMD in the following pages:

• Basic Hefei-NAMD
• Hefei-NAMD with CA-NAC
• Hefei-NAMD with excitonic effects

Related paper: https://onlinelibrary.wiley.com/doi/10.1002/adom.202403069

Related repository: https://github.com/Ionizing/adom.202403069