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全电子从头算程序,对丙二烯分子的两种不同对称性构型的电子结构进行
算。
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全电子从头算程序,对丙二烯分子的两种不同对称性构型的电子结构进行
算。
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以上要求,因为它所刻画的尺度于微观的从头
算理论和宏观理论之
。
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