エクシトン理論を超えて:ペリレン二ミドとその染色体二重体に関する時間依存のDFTとフランク・コンドン研究

Aurora E Clark1, Changyong Qin, Alexander D Q Li

  • 1Department of Chemistry, Washington State University, Pullman, Washington 99164, USA. auclark@wsu.edu

まとめ

ペリレンダイミドのスペクトルシフトは,PI-PIの積み重ねにより,集積を明らかにします. この研究では,エクシトン理論とTDDFTを比較して,ペリレンテトラカルボキシルジミド (PTCDI) アグレガートのビブロン波帯強度逆転を説明しています.

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