Kinetic Energy of Electrons and Potential Energy of Atoms with Open Electron Shell in the Basis of the Slater Functions.

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 V ¯ / T ¯ = − 2 . [ABSTRACT FROM AUTHOR]