二维和三维氢分子中原子间的电子关联的比较

讨论了非正交基（类氢原子的１ｓ态）和正交基下，二维和三维氢分子的基态波函数中，反映原子间电子关联大小的离子键成分与共价键成分的权重之比η随核间距Ｒ的变化情况，分析了两种基下存在差别的原因，认为正交基下反映的情况更为客观，并得出二维氢分子中原子间的电子关联明显强于三维氢分子中原子间的电子关联这一重要结论。

COMPARISON BETWEEN THE INTERATOMIC CORRELATIONS IN THE TWO AND THREE DIMENSIONAL HYDROGEN MOLECULES

Under the non orthogonal (the 1s state of hydrogen like atom) and orthogonal basis sets, the differences of the rates, which represent the relative strength of interatomic correlations, between the ionic component and the covalent component in the ground state of two and three dimensional hydrogen molecules, as functions of the internuclear distance R , are compared. The reason to cause the diferences is analysed. The fact that the case under the orthogonal basis set is more proper to show the real physical situations is pointed out. An important conclusion that the interatomic correlation in the two dimensional hydrogen molecule is much more stronger than in the three dimensional one is obtained.