1·Gap Symmetry; Spin Fluctuation; Local Density of States.
能隙对称性；自旋涨落；局域态密度。
2·The charge transfer, the bond strengths and the density of states are also considered.
还计算了电荷转移、成键情况和状态密度。
3·The local density of states at the Fermi level increases with the adsorption of hydrogen molecules.
氢分子吸附后，费米能级处的局域态密度增加。
4·The band structure, energy gap, the density of states and the partial density of states in the case.
在此基础上计算了化合物的能带结构和电子能态密度。
5·Results show that a small density of states due to the -U centers exists in the region of "energy gap".
结果表明，-U中心的存在使激发谱“能隙”内出现很小值的态密度。
6·With fewer energy levels within the specific energy band, the density of states of the material changes.
随着单位能带内的能级变少，材料的状态密度也将发生变化。
7·The corresponding image of local density of states in real space shows a highly localized state around the defect.
然后逐点计算局域态密度发现，在实空间准束缚态是一个非常局域化的效应，离开缺陷即迅速衰减。
8·The energy bands and density of states were calculated using the VASP(Vienna ab-initio simulation package) program.
在此基础上计算了化合物的能带结构和电子能态密度。
9·There was several kinds of methods to calculate carbon nanotube's phonon spectrum and the vibrate density of states.
关于碳纳米管的声子谱及振动态密度的计算方法有好几种。
10·From the figures of their density of states (DOS), we can find that these clusters all present semiconductor-like properties.
由它们的态密度图可以看出，这些团簇均展现半导体性质。