Quantum Jump Approach for Photosynthetic Energy Transfer with Chemical Reaction and Fluorescence Loss

TL;DR

This paper introduces a quantum jump approach based on the modified Redfield theory to efficiently and accurately simulate energy transfer, chemical reactions, and fluorescence loss in large photosynthetic systems, aiding artificial system design.

Contribution

The paper develops a quantum jump approach integrated with CMRT, improving simulation accuracy and efficiency for large-scale photosynthetic complexes.

Findings

QJA-CMRT offers higher accuracy than traditional methods.

The approach reduces computational cost for large systems.

It effectively models chemical reactions and fluorescence loss.

Abstract

Recently, the coherent modified Redfield theory (CMRT) has been widely used to simulate the excitation-energy-transfer (EET) processes in photosynthetic systems. However, the numerical simulation of the CMRT is computationally expensive when dealing with large-scale systems, e.g. photosystem I (PSI) and II (PSII). On the other hand, the chemical reaction and fluorescence loss traditionally treated by the non-Hermitian Hamiltonian approach may result in significantly error in a wide range of parameters. To address these issues, we introduce a quantum jump approach (QJA) based on the CMRT to simulate the evolution of photosynthetic complexes including both the chemical reaction and fluorescence loss. The QJA shows higher accuracy and efficiency in simulating the EET processes. The QJA-CMRT approach may provide a powerful tool to design and optimize artificial photosynthetic systems, which benefits future innovation in the field of energy.