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Updated: Jul 8, 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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SOS1-RSX-QIDH:一个旋转-对立-缩放范围-分离-交换二次整合和双混合密度功能

Éric Brémond1, Ángel José Pérez-Jiménez2, Juan Carlos Sancho-García2

  • 1Université Paris Cité, ITODYS, CNRS, F-75006 Paris, France.

The Journal of chemical physics
|December 15, 2023
PubMed
概括

我们介绍了SOS1-RSX-QIDH密度函数,这是一个新的计算模型,可以准确预测分子性质. 这种方法为地面和激发状态提供了更高的效率和可靠性,特别是对于复杂的系统.

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