Abstract
In biological and life science applications, photosynthesis is an important process that involves the absorption and transformation of sunlight into chemical energy. During the photosynthesis process, the light photons are captured by the green chlorophyll pigments in their photosynthetic antennae and further funneled to the reaction center. One of the most important light harvesting complexes that are highly important in the study of photosynthesis is the membrane-attached Fenna–Matthews–Olson (FMO) complex found in the green sulfur bacteria. In this review, we discuss the mathematical formulations and computational modeling of some of the light harvesting complexes including FMO. The most recent research developments in the photosynthetic light harvesting complexes are thoroughly discussed. The theoretical background related to the spectral density, quantum coherence and density functional theory has been elaborated. Furthermore, details about the transfer and excitation of energy in different sites of the FMO complex along with other vital photosynthetic light harvesting complexes have also been provided. Finally, we conclude this review by providing the current and potential applications in environmental science, energy, health and medicine, where such mathematical and computational studies of the photosynthesis and the light harvesting complexes can be readily integrated.
Highlights
Photosynthesis is a process by which green plants and certain other organisms convert light energy into chemical energy which is served as an energy source for all forms of life
This study highlights that the use of sinks, traps or any artificial relaxation process in the standard theoretical models of solar energy conversion, which is developed for studying the energy transfer to the reaction center in photosynthetic systems may contradict to the second law of thermodynamics
The purpose of this review has been to shed better light on the computational and mathematical techniques used for studying the photosynthetic systems and phenomena of light harvesting complexes, with special attention given to the FMO complex of green bacteria
Summary
Photosynthesis is a process by which green plants and certain other organisms convert light energy into chemical energy which is served as an energy source for all forms of life. Sci. 2020, 10, 6821 the generation of electronically excited state being subsequently transferred to the reaction centre where charge separation occurs This transfer of energy is facilitated by the pigment-protein complexes, such as light harvesting complex II, CP26 and CP29 in green plants and algae, as well as model organisms of green sulfur bacteria such as Chlorobium tepidum and Fenna–Matthews–Olson (FMO) complex [2]. We will discuss the issues pertinent to the highest occupied orbital (HOMO) and lowest unoccupied orbital (LUMO) energies for all the BChls utilizing the time-dependent DFT These results would be helpful in studying the excitonic dynamics of the light harvesting complexes among different applications.
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