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Updated: Jul 16, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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哪个算法最好地传播迈耶-米勒-股票-投映射汉密尔顿对非代数动力学的算法?

Lauren E Cook1, Johan E Runeson2, Jeremy O Richardson2

  • 1Department of Chemistry, University College London, Christopher Ingold Building, London WC1H 0AJ, U.K.

Journal of chemical theory and computation
|September 13, 2023
PubMed
概括

这项研究比较了使用迈耶-米勒-斯托克-托斯 (MMST) 哈密尔顿式模拟量子-经典动态的三个算法. 动量积分 (MInt) 算法是严格的简单的,而分割-Liouvillian (SL) 则以更低的成本提供可比的准确性.

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