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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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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

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相对论两组件双电离电位运动方程合集群与迪拉克-库伦布-布莱特哈密尔顿式

Run R Li1, Stephen H Yuwono1, Marcus D Liebenthal1

  • 1Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390, USA.

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

我们开发了一种相对论计算方法,准确计算原子和分子的双电离潜力 (DIP). 我们的方法与其他先进的方法和实验数据有很好的一致性,改善了我们对电子结构的理解.

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