irreducible representation

In the frame of irreducible representation of Poincar é group, this spin operator, which is named as moving spin and applied to all the canonical states of the particle, is constructed.

在Poincar啨群不可约表示的框架里，构造了适用于粒子任意正则态的自旋算符，称为运动自旋。

The total antisymmetric basis functions are constructed for irreducible representation of S3 permutation group from nine-dimensional hyperspherical harmonics.

以九维超球谐为投影函数，构造置换群S3一维不可约表示的全反称基函数。

The bonding properties are analysed. The relation between the H-F force and the MO's irreducible representation is presented, a method to decide the molecular geometric configuration variation of excited states by the frontier MO's H-F force is suggested.

用从头算法计算了乙烯和环丙烷的各分子轨道的H-F力，指出了H-F力与分子轨道不可约表示闻的关系，提出了用前线轨道的H-F力判断激发态分子构型畸变的方法。