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ABSTRACT:
SUBMITTER: Jornet-Somoza J
PROVIDER: S-EPMC4598288 | biostudies-literature | 2015 Oct
REPOSITORIES: biostudies-literature
Jornet-Somoza Joaquim J Alberdi-Rodriguez Joseba J Milne Bruce F BF Andrade Xavier X Marques Miguel A L MA Nogueira Fernando F Oliveira Micael J T MJ Stewart James J P JJ Rubio Angel A
Physical chemistry chemical physics : PCCP 20151001 40
First-principles calculations within the framework of real-space time-dependent density functional theory have been performed for the complete chlorophyll (Chl) network of the light-harvesting complex from green plants, LHC-II. A local-dipole analysis method developed for this work has made possible the studies of the optical response of individual Chl molecules subjected to the influence of the remainder of the chromophore network. The spectra calculated using our real-space TDDFT method agree ...[more]