In general, the electronicexcitation free energy of partial disordered states almost cannot be computed with abinitio approaches directly. A set of effective cluster density of state (ECDOS) is de-veloped for this purpose.
鉴于直接ab initio方法在无序态上的困难,本文发展了有效集团态密度(ECDOS)方法来近似计算合金的有效电子态密度和自由能。
参考来源 - 替位合金物态方程的有序—无序效应9eV. The band structure and density of state of single-walled BN nanotubes is reviewed in chapter 4.
第四章研究了单壁氮化硼纳米管能带结构与态密度。
参考来源 - 笼状纳米结构的能谱特征·2,447,543篇论文数据，部分数据来源于NoteExpress
The exciton absorption resonaces (HH and LH) and step accumu-tive density Of state have been observed.
观察到轻、重空穴对应的激子吸收峰（LH和HH）及台阶状态密度。
The formation energy, phase diagram, voltage, crystal structural parameter and density of state can be calculated using VASP software package.
利用VASP软件包可计算形成能、相图、电压和材料的晶体结构参数及态密度等。
The density of state is calculated by the calculating method of quantum chemistry, and the result of calculation is compared with the result of XPS.
用量子化学计算方法计算了样品的电子态密度。并将计算结果与XPS测试结果作比较。
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