CORDIS Project
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This project focuses on calculating excitation energies of molecules in solution, particularly examining the influence of solvent molecules. By integrating wave-function theory with density-functional theory, the project aims to develop accurate computational methods for modeling light-harvesting components in photosyn…
Electronic excitations play an important role in several biological processes, such as photosynthesis and vision, as well as in technological applications like lighting materials---making the calculation of excitation energies an
interesting and up-to-date challenge.Of special interest are influences of solvent molecules such as water or acetone.Typically (time-dependent) density-functional theory is used for larger systems but is not appropriate when
charge-transfer comes into play.We propose t…
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Netherlands, Amsterdam
Type: University / higher education
Activity type: Higher or Secondary Education Establishments
SME: No
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