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ab initio

"ab initio"的翻译和解释

例句与用法

  • The elastic constants of bcc li , na and fcc al crystals have been evaluated as functions of pressure and temperature by using a new model together with ab initio electronic structure and total - energy calculations . in the model it is considered that the elastic constants of crystals at a given temperature and pressure can be calculated using a conventional density functional method but modified by a new set lattice constants due to the isobaric volumetric thermal expansion when temperature rise from absolute zero to the given one
    本文对高压及有限温度立方金属弹性常数的计算方法进行了研究,建立了一种考虑温度效应的物理模型,基于这个模型和从头算方法,对典型的立方晶系金属li 、 na 、 al在高压及有限温度(熔点以下温度)弹性常数进行了计算,取得了与已有实验结果较好相符的计算结果。
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用"ab initio"造句  
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