• The consistency between the generalized self-consistent method and the independence theorem was confirmed.

    证明了广义自洽法与无关性定理的一致性。

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  • Background structure for CME propagation is obtained by the time relaxation method, which guarantees it stable and self-consistent.

    CME传播所需的背景结构是采用时间松弛方法计算得到的,这保证背景结构是自洽和稳定的。

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  • Self consistent ensemble optimization (SCEO) method was applied to the situation considering flexible backbones to predict the three dimensional structure of interfaces of protein complexes.

    将自洽系综最优化方法(SCEO)推广到主链可变的分子体系,并以此来实现蛋白质复合物结合界面的柔性优化。

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  • The calculations of self-consistent reaction field (SCRF) method illustrated that the brain uptakes of the complexes relied on their absolute hydrate free energies.

    溶剂自洽反应场方法的计算结果表明同类配合物的脑吸收值取决于绝对水化自由能;

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  • The electronic structures of polyindenoindenes (PInIn) and their derivatives have been studied by self - consistent - field crystal orbital method. The substituent effect is also discussed.

    用自洽场全略微分晶体轨道法对聚茚并茚及其取代衍生物的电子结构进行了计算研究,探讨了取代基效应。

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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.

    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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  • Then, based on the structure, the electronic structure of amino acid with the potential of water molecules is calculated using the self-consistent cluster-embedding (SCCE) method.

    然后以此空间构型为基础,用“团簇埋入自洽计算法”计算氨基酸在以水分子为外势条件下的电子结构。

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  • The electronic structures of polyindenoindenes (PInIn) and their derivatives have been studied by self - consistent - field crystal orbital method.

    用自洽场全略微分晶体轨道法对聚茚并茚及其取代衍生物的电子结构进行了计算研究,探讨了取代基效应。

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  • The paper presents a self-consistent finite element method (SCFEM)dealing with inclusion problems.

    本文提出了处理夹杂问题的自洽有限元法。

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  • Considering the tunneling effect and the Schottky effect, the metal semiconductor contact is simulated by using self consistent ensemble Monte Carlo method.

    运用自洽的蒙特卡罗方法模拟了肖特基接触的隧穿效应。

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  • The self-consistent finite element method is used to evaluate longitudinal effective Young's modulus and shear modulus for unidirectional fiber composite containing the fiber-end crack.

    计算了含有纤维端头裂纹的单向短纤维复合材料的有效纵向拉伸模量和纵向剪切模量,并分析了体分比、刚度比、长径比等物理、几何因素的影响。

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  • The conclusion of the evaluation confirmed the validity of indicator system and the logic of self-consistent of the method.

    评价结论基本证实了指标体系的有效性和方法具有逻辑自洽性。

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  • These energy levels and relevant quantum defects have been calculated by using relativistic self-consistent field method The theoretical results are coincident with the experiments very well.

    采用相对论性自洽场方法对所得能级以及相应的量子亏损作了计算,理论与实验结果符合得很好。

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  • The self-consistent band structure, total and partial density of states for the stable compounds hcp-WC and MoC are calculated by the LMTO-ASA method based on Kohn-Sham's LDF theory.

    本文基于局域密度泛函理论(LDF)和LMTO-ASA方法,计算了稳定的六角结构碳化钨和碳化钼的自洽能带结构,总态密度和分波态密度。

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  • The self-consistent band structure, total and partial density of states for the stable compounds hcp-WC and MoC are calculated by the LMTO-ASA method based on Kohn-Sham's LDF theory.

    本文基于局域密度泛函理论(LDF)和LMTO-ASA方法,计算了稳定的六角结构碳化钨和碳化钼的自洽能带结构,总态密度和分波态密度。

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