• The mechanism of pyrogallic acid depressing sulphide minerals has been discussed by means of HMO calculation, interaction energy and energy band structure.

    通过量子化学计算、亲固能计算以及能带结构分析等方法探讨了焦性没食子硫化矿物抑制机理

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  • The preparation, purification, structural simulation, energy band calculation and electron-emission calculation of carbon nanotubes are studied principally in this paper.

    本文主要研究了纳米制备纯化结构模拟以及能带场发射计算问题。

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  • 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标量相对论近似下本文提出一个近似、相对论格林函数电子能带结构计算

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  • 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.

    基础上讨论了能带计算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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  • 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.

    基础上讨论了能带计算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。

    dict.cnki.net

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