‘HOT’ PCCP paper – electronic spectra of light-harvesting complex II
Subsystem TDDFT calculations allow us to investigate structural, environmental, and excitonic effects in optical spectra of (mutated) light-harvesting complexes.
The authors report on a fully quantum chemical investigation of important structural and environmental effects on the site energies of chlorophyll pigments in green-plant light-harvesting complex II – which is very important for future energy research.
First-principles calculation of electronic spectra of light-harvesting complex II
Carolin König and Johannes Neugebauer
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP02808H