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Updated: Jun 11, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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模型Hamiltonian:一个Python可脚本的库,用于生成0,1和2电子整数

Valerii Chuiko1, Addison D S Richards2, Gabriela Sánchez-Díaz1

  • 1Department of Chemistry and Chemical Biology, McMaster University, 1280 Main St. West, Hamilton, Ontario L8S 4M1, Canada.

The Journal of chemical physics
|October 7, 2024
PubMed
概括

ModelHamiltonian是一个免费的Python库,用于定义模型哈密尔顿式,简化量子化学计算. 它提供了一个GUI和ChatGPT接口,用于研究和教育中的可访问性.

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