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time-dependent density functional theory

  • 时间相关密度泛函理论：一种研究量子系统在时间演化过程中的电子密度分布的理论方法，广泛应用于物理、化学和材料科学等领域。

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  • 含时密度泛函理论 - 引用次数：28

    We also obtained the electronic absorption spectra of the quantum dot by time-dependent density functional theory(TD-DFT) and our results were well agreement with experimental observations. We proposed that strong Luminescence of graphene quantum dot from the zigzag edge effect.

    用含时密度泛函理论对其进行激发态的计算,得到了该量子点的电子吸收光谱,找到了和实验观测到的波长相一致的吸收光谱,提出石墨烯量子点的光致发光源于zigzag边缘效应。

    参考来源 - 石墨烯及其掺杂体系电子结构性质的理论研究

·2,447,543篇论文数据，部分数据来源于NoteExpress

Time-dependent density functional theory

  • abstract: Time-dependent density functional theory (TDDFT) is a quantum mechanical theory used in physics and chemistry to investigate the properties and dynamics of many-body systems in the presence of time-dependent potentials, such as electric or magnetic fields. The effect of such fields on molecules and solids can be studied with TDDFT to extract features like excitation energies, frequency-dependent response properties, and photoabsorption spectra.

以上来源于: WordNet

双语例句

  • Spectroscopic properties of selected systems have been investigated by time dependent density functional theory (TD-DFT).

    体系光谱计算采用时间依赖的密度泛函方法（TD-DFT）。

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