Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.

采用PSHONDO-SCF全电子从头计程序,烯分子的两种不同称性构型的电子结构进行计。

This is the case of micromagnetics, which is a continuum theory that stands between quantum theories like ab-initio and macroscopic theories.

而在现有技术条件下，只有微磁学能够很好地满足求，因为它所刻画的尺度空间介于微观的从头计理论和宏观理论之间。