A tool to calculate lifetimes, average charge separation and dipole moments of excited states along DNA within the formalism of open quantum systems.
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Updated
Nov 11, 2024 - Python
A tool to calculate lifetimes, average charge separation and dipole moments of excited states along DNA within the formalism of open quantum systems.
This code package simulates the time evolution of a multi-site electron transfer chain, with quantum yield, energy efficiency, and rate matrices as key outputs. The simulation models the rates and population dynamics of multi-step hopping with inter-cofactor separations and driving forces (ΔG) as input parameters.
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