Linear response theory of dye–polymer complex circular dichroism

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Abstract
A linear response theory for the circular dichroism of dye–polymer complexes is presented. The time dependent Hartree approximation is employed and the effect of electrostatic fields is included in an approximate manner. Periodic boundary conditions are used to describe the polymer which may have several chromophores per repeating unit and any number of bound dye molecules. A partitioning technique is used to obtain the two components of the circular dichroism, that of the dye aggregate which is shifted due to dye–polymer interaction. The induced circular dichroism predicted by a less accurate scheme, a matrix approach, is shown for a typical case to be at least 24% less intense than that predicted by the time dependent Hartree scheme.