Minimal Basis Sets 最小基组
Polarization Function Basis Sets 极化函数基组
Diffusion Function Basis Sets 弥散函数基组
- g basis sets g基组
Mixed basis sets 混合基组
Common Basis Sets 常用基组
LANL2DZ basis sets LANL2DZ基组
Solution of H-F Equations (cont.), Meaning of Eigenvalues, Basis Sets Introduction.
方程解(续),特征值的意义,基组导论。
Theoretical optimizations with both basis sets show that the equilibrium geometries of the three picolinic acid molecules are completely planar.
二套基组的理论优化表明,三个吡啶甲酸分子都具有平面的平衡构型。
The energy levels calculated with the TNP, DNP and DND basis sets can play important roles in analyzing light absorption and photoemission experiments.
采用TNP,DNP和DND这三种基组所得的能级和态密度可用于分析光吸收,光电子发射等实验数据。
And that's what these will be for on a weekly basis for each of the remaining problem sets.
这就是为那些每周剩余的习题集,而打好基础的。
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