first-principle density functional theory
first-principle density functional theory
第一原理密度泛函理论
以上为机器翻译结果,长、整句建议使用 人工翻译 。
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The first-principle calculation, which is based on the Density Functional Theory, is playing important role in computational materials.
而基于密度泛函理论的第一性原理计算方法,则是计算材料科学的重要基础和核心技术。
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