The changes of volume, band structures, electronic density of states and charge density contour plots for lithium intercalation in InSb are also discussed.
讨论了锂嵌入时的体积变化、能带结构、电子态密度以及电荷分布等性质。
On the basis of optimized geometries, the charge densities, spin density, bond orders and electronic spectra of above molecule and cation have been calculated.
以优化构型为基础计算其电荷密度、自旋密度、键序和电子光谱。
It's electronic structure, including spectrum of the ground state valence levels, density of states, and the charge transfer between adsorbate and substrate, is obtained.
得到了它的电子结构，包括分子丛轨道能量本征值谱、态密度、电荷转移等等结果。
It's electronic structure, including spectrum of the ground state valence levels, density of states, and the charge transfer between adsorbate and substrate, is obtained.
得到了它的电子结构，包括分子丛轨道能量本征值谱、态密度、电荷转移等等结果。
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