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Updated: Jan 18, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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复杂变量MP2理论应用于核心真空状态,用于计算奥格尔光谱

Florian Matz1, Jan Philipp Drennhaus1, Anthuan Ferino-Pérez1

  • 1Department of Chemistry, KU Leuven, B-3001 Leuven, Belgium.

The Journal of chemical physics
|September 9, 2025
PubMed
概括

这项研究使用Møller-Plesset扰动 (MP2) 理论建模了奥格尔光谱,从而节省了计算成本. 该方法准确地预测了各种分子的衰变通道,并对复杂的情况进行了改进.

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