In this paper, a Scalar Eelativiatic Green's Function method (SRA-KKR) neglecting spin-orbit coupling effect has been proposed for the energy band calculation.
略去自旋轨道耦合效应，在标量相对论近似下本文提出了一个近似的、相对论格林函数电子能带结构计算法。
The preparation, purification, structural simulation, energy band calculation and electron-emission calculation of carbon nanotubes are studied principally in this paper.
本文主要研究了碳纳米管的制备、纯化、结构的模拟以及能带和场发射计算问题。
On this basis the self-consistent energy band calculation and the empirically adjusted method are discussed, thus a general picture for the zone-variational method is shown.
在此基础上又讨论了自洽能带计算和经验调整能带计算方法，从而给出了分区变分法的一个完整的概貌。
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