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Citation: Dongju Zhang, Xinyi Cai, Qisheng Song. 直链和单环共轭多烯本征行列式递推公式及本征能级的推导[J]. University Chemistry, ;2022, 37(7): 211006. doi: 10.3866/PKU.DXHX202110068 shu

直链和单环共轭多烯本征行列式递推公式及本征能级的推导

School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China

Received Date: 22 October 2021

休克尔(Hückel)分子轨道法是描述共轭体系π电子运动的近似模型，《结构化学》教科书中通常直接给出其本征行列式和其本征能级的递推公式，缺乏推导过程。本文用数学归纳法推导了直链和单环共轭多烯本征多项的递推公式，给出了对应本征能级的通式、特点和规律，适于未掌握群论和图论等数学工具的学生学习使用。
- Conjugated polyenes,
- Eigendeterminants,
- Recurrence formula,
- Eigenenergy levels
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