ab initio calculation method

 
       
  • 从头计算方法

ab initio calculation method的用法和样例:

例句

  1. Keywords ab initio calculation method;semi-empirical interatomic pair potential;Austenite structure;cohesive energy;
    从头计算方法;半经验对势;奥氏体结构;结合能;
  2. The article elaborates the method of adding pseudo - potential to ab initio calculation to solve problems in multi - electron system.
    文章介绍了在从头计算方法中加入赝势来求解多电子体系问题的方法。
  3. Ab initio calculation with STO-3G basis sets and DFP geometry optimization method were used to study conformation stability of pentadienyl anion and its methyl substituted derivatives.
    用STO-3G基组的从头计算和DFP梯度几何优化方法对戊二烯负离子(C_5H_7~-)及其甲基取代衍生物进行了骨架优化.
  4. The structure changes of forced out PPS were analyzed with ab initio calculation.
    通过量子化学计算,对挤出后PPS结构变化进行了理论分析。

ab initio calculation method的海词问答与网友补充:

提问补充

ab initio calculation method的相关资料:

临近单词

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