共轭体系
计算化学
化学
材料科学
有机化学
聚合物
作者
Danielle Elsey,Dakota Folmsbee,Luke Langkamp,Geoffrey Hutchison
摘要
Given the importance of accurate polarizability calculations to many chemical applications, and the need for efficiency when calculating the properties of sets of molecules or large oligomers, we present a benchmark study on calculation methods for polarizable materials.
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