【摘要】 本文以H₂和Na₂的静电计算为例,对静电方法进行了分析,指出静电平衡准则在静电计算中的重要作用。无疑在静电计算中波函数的选择是起决定作用的。本文的计算和分析进一步指出,波函数中波函数的类型是起决定作用的,而轨道指数的不同选择方案影响是次要的,这就为进一步改进静电方法指明了方向。更多还原

【Abstract】 The electrostatic method for calculating the molecular binding energy is studied and illustrated for the case of H₂ and Na₂ and a deeper understanding of the method is achieved. It is shown that the electrostatic balance criterion （ r the condition of zero resultant forces） plays an important role in the electrostatic alculation and that the determinant factor in the electrostatic calculation is the type of the wave function rather than the orbital exponents.更多还原