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用于计算分子聚合和固体光学吸收光谱和光电特性的外化学汉密尔顿
 
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用于计算分子聚合和固体光学吸收光谱和光电特性的外化学汉密尔顿

Article DOI: 10.3791/60598
May 27th, 2020

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Summary May 27th, 2020

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在这里,我们提出了一个协议,用于从第一原理量子化学计算中计算分子材料的光吸收光谱和光电子特性的紧密结合外物质。

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