Calculation of energies of the isoelectronic series of atoms (Z ≤ 29) using the Hartree_Fock method

International Conference of Young Scientists and Specialists "Optics-2015"

Eremkin, I.N.^1 ; Malykhanov, Yu B.^2 ; Gorshunov, M.V.^2

ANO Center for Professional Training, Saransk

430003, Russia^1

M.E. evsev'Ev Mordovian State Pedagogical Institute, Saransk

430007, Russia^2

关键词: Algebraic approximation;    Electron atoms;    Experimental values;    Hartree-Fock methods;    Iso-electronic series;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/735/1/012052/pdf
DOI  :  10.1088/1742-6596/735/1/012052

来源: IOP

【 摘 要 】

Energy of atoms from hydrogen to cuprum and all their ions up to the one-electron atom that were calculated in the algebraic approximation of the Hartree-Fock method were compared with the experimental values obtained from ionization potentials. It was established that the calculated energies of atoms with Z ≤ 29 were only 0,3-1,0% greater than the experimental values. This indicated that the approximations underlying the Hartree-Fock method were correct.