It will offer good data for the studies on the theory of energy band.

为固体能带理论的研究提供了具体数据。

youdao

The binding energy, energy band structure and optical properties of the oxygen physical adsorption on semiconducting single-wall carbon nanotube are studied by the density functional theory.

用密度泛函理论计算了氧分子物理吸附在半导体型单壁碳纳米管的束缚能，能带结构和吸收光谱。

youdao

Following, we described solid energy band theory which is one of the most successful and important theory in condensed physics, and materials computation methods with first-principle.

紧接着叙述了凝聚态物理学中最成功、最重要的理论之一——固体能带理论，以及在这一理论框架下的第一性原理的材料计算方法。

youdao