initio

The anisotropy which is neglected in CFT calculations is considered in ab initio ones.

进一步计算杂质Cr3十进入A12O3后对周围晶格的影响,发现Cr3+对其第三近邻原子的影响仍不可忽略.

The agreement was declared void ab initio.

此协议自一开始就被宣布无效。

We assume that the sex of the lion is ab initio _ indeterminate.

我们假设狮子的性别在一开始是不确定的.

These four parameters, and b are calculated by ab initio method in this paper.

本论文针对上述四个重要的参数作了量子力学的从头计算.

The energy bands and density of states were calculated using the VASP ab - initio simulation package program.

在此基础上计算了化合物的能带结构和电子能态密度.