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Updated: Jul 26, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Published on: May 27, 2020

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对核和电子动态的多尺度方法. II. II. II. II. II. II. II. II. II. II. II. II. II. II. II. II. II. II. 准确和近似评估非辐射过渡速率的准确和近似评估

R Cortivo1, J Campeggio1, M Zerbetto1

  • 1Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy.

The Journal of chemical physics
|June 22, 2023
PubMed
概括

本研究介绍了一种有效的方法来计算量子-经典分子动力学的过渡率. 从核坐标放松时间来确定一个可调节的参数,表示脱凝时间.

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