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Updated: Jan 18, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

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关于振动合集群响应理论的子系统视角

Lars Henrik Olsen1, Carolin König2, Ove Christiansen1

  • 1Deparment of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.

The journal of physical chemistry. A
|September 8, 2025
PubMed
概括

我们开发了振动合集群嵌入理论,用于计算大型系统中的响应特性. 这种新方法有效计算振动光谱的激发能量和过渡概率.

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