“first principle calculation”的概念、定义、翻译、参考文献-科学参考

单词	first principle calculation
释义	first principle calculation Encyclopedia 工学第一性原理计算释 first principle calculation第一性原理计算从所要研究的材料的原子组分出发，运用量子力学及其他物理规律，通过自洽计算来确定指定材料的几何结构、电子结构、热力学性质和光学性质等材料物性的方法。简称从头计算（the abinitio calculation）。 Physics 原子核物理学、粒子物理学粒子物理学 ab initio calculation从头计算又称“第一[性]原理计算(first principle calculation)”。
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