کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1442842 1509450 2009 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio MO-CI based quantum master equation approach: Exciton dynamics of weakly and strongly coupled J-type aggregates
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد بیومتریال
پیش نمایش صفحه اول مقاله
Ab initio MO-CI based quantum master equation approach: Exciton dynamics of weakly and strongly coupled J-type aggregates
چکیده انگلیسی
In order to investigate the time evolutions of electron and hole distributions in weakly and strongly coupled H2 dimer models, we employ a novel dynamic exciton expression derived from the exciton density matrices calculated by the quantum master equation combined with the ab initio molecular orbital (MO)-configuration interaction (CI) method. The oscillation of exciton distribution over the monomers is observed in case of small inter-monomer distance, where the coupled dipole approximation is invalid. The result originates in the covalent character of inter-monomer interaction in the first excited state, i.e., delocalized character of LUMO distribution.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Synthetic Metals - Volume 159, Issues 21–22, November 2009, Pages 2194-2197
نویسندگان
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