The calculation results for the lattice constant, bulk modulus, cohesive and electronic band structure agree with that results of ah initio pseudpotential method.
对于平衡晶格常数、体模量、结合能和能带结构的计算结果与从头算赝势方法较接近;
The electronic structure of a quaternary alloy has been investigated using EHT band calculation method.
用EHT紧束缚能带计算方法,研究了四元合金的电子结构。
The photonic band of a set of quasi_fractal photonic crystals, which have similar structure and include idealized metal, is computed by finite_difference time_domain method.
用时域有限差分方法计算了一组具有相似几何结构且包含理想金属材料的准分形光子晶体的能带。
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