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Updated: Sep 15, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

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方言,一个用于激发光谱和大分子组合中的动力学软件包,从弱到强光-物质合模式

Richard Einsele1, Xincheng Miao1, Luca Nils Philipp1

  • 1Institut für Physikalische und Theoretische Chemie, Julius-Maximilians-Universität, Emil-Fischer Str. 42, 97074 Würzburg, Germany.

The journal of physical chemistry. A
|July 17, 2025
PubMed
概括

DIALECT软件计算了大型分子系统的兴奋状态属性和非adiabatic动态,使分子材料中能量和电荷转移的模拟成为可能. 这种工具有助于在纳米材料等复杂系统中的激子和电荷运输研究.

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