从头计算法 meaning in English
ab initio calculation
Examples
- Allen and co-worker did ab initio calculation to test the adequacy of scf mo calculations for predicting molecular equilibrium geometries .
爱伦及其同事应用从头计算法来考查SCFMO计算对于预示分子平衡几何形的适宜性。 - Allen and co - worker did ab initio calculation to test the adequacy of scf mo calculations for predicting molecular equilibrium geometries
爱伦及其同事应用从头计算法来考查scf mo计算对于预示分子平衡几何形的适宜性。 - Our dynamic calculation is carried out on a recent ab initio potential energy surface ( pes ) of jordan and gilbert . the tdwp method also is employed as a computational tool
然后在从头计算法得到的解析势能面( jordanandgilbert )上，采用含时波包法进行了量子计算。