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Updated: Jul 1, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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避免对大过渡率矩阵的矩阵指数

Pedro Pessoa1,2, Max Schweiger1,2, Steve Pressé1,2,3

  • 1Center for Biological Physics, Arizona State University, Tempe, Arizona 85287, USA.

The Journal of chemical physics
|March 4, 2024
PubMed
概括

这项研究引入了用于矩阵指数的新方法,这在科学计算中至关重要. 一种新的马尔科夫跳跃过程 (MJP) 方法和克里洛夫子空间方法为速率矩阵提供了改进的计算缩放.

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