Spectroscopy with PLDM

Computation of linear absorption spectra with standard and spin-based partially linearized densty matrix (PLDM) techniques.

Duration : July 2021 - August 2021
Supervisor : Prof. Dr. Pengfei Huo
Institute : University of Rochester

In this virtually conducted summer project with the Huo group, I had the opportunity to study the theory of linear and nonlinear spectroscopy. Subsequently, simple two and four state models were constructed and the single-time correlation functions were derived. The linear absorption spectra were computed with PLDM and spin-PLDM techniques and the differences were analysed.

I’ve attached some of the resources used below.

• On Spectroscopy :
  • Principles of Nonlinear Optics and Spectroscopy - Mukamel 1995.
  • Modeling nonadiabatic dynamical processes in molecular aggregates - Provazza 2020.
• 2-State Model : Petit et. al. 2014 - doi.org/10.1063/1.4884945.
• 4-State Model : Fetherolf et. al. 2017 - doi.org/10.1063/1.5006824.