The kinetic energy of electrons and the potential energy of a nitrogen atom with open electron shell are calculated in this work in the basis of the Slater functions using the Hartree–Fock–Roothaan (HFR) method. Analytical expressions are derived for the kinetic and potential energies of the nitrogen atom with open electron shell. Twenty independent determinant wave functions corresponding to the 1s22s22p3 electronic configuration of the nitrogen atom have been found by summing the moment projections. The results obtained have been verified using the virial theorem and the expression $$ \left(\overline{V}/\overline{T}=-2\right) $$ .

中文翻译：

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基于斯莱特函数的电子动能和具有开放电子壳层的原子势能

在这项工作中，基于 Slater 函数，使用 Hartree-Fock-Roothaan (HFR) 方法计算了电子的动能和具有开放电子壳层的氮原子的势能。推导出具有开放电子壳层的氮原子的动能和势能的解析表达式。通过对矩投影求和，已经找到了与氮原子的 1s22s22p3 电子配置相对应的 20 个独立行列式波函数。使用维里定理和表达式 $$ \left(\overline{V}/\overline{T}=-2\right) $$ 验证了获得的结果。