在鞍点近似下，求得了系统的电子态密度和一些低温热力学量。
The electronic density of states (DOS) of the system as well as low temperature thermodynamic quantities are obtained under the saddle point approximation.
在此基础上计算了化合物的能带结构和电子能态密度。
The energy bands and density of states were calculated using the VASP(Vienna ab-initio simulation package) program.
采用TNP，DNP和DND这三种基组所得的能级和态密度可用于分析光吸收，光电子发射等实验数据。
The energy levels calculated with the TNP, DNP and DND basis sets can play important roles in analyzing light absorption and photoemission experiments.
分析讨论了晶体结构，电子能带，态密度和光学性质与掺杂元素种类和掺杂量之间的关系。
The electronic bands, density of states and optical properties are obtained accordingly, and the doping-effects on the electrical and optical properties also are analysed.
在此基础上计算了化合物的能带结构和电子能态密度。
The densities of accessible final states for calculations of multi—step compound reactions are derived.
在此基础上计算了化合物的能带结构和电子能态密度。
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。
The band structure, energy gap, the density of states and the partial density of states in the case.
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