International Journal of Advanced Multidisciplinary Research and Studies
Volume 3, Issue 3, 2023
Calculation of the Energy of Subshells for Five_Electron Systems
Author(s): Hashim Yousef Yaqoub Al-Kazrajy, Qassim Shamkhi AL-Khafaji
This study aims to calculate the important atomic properties such as Two Particle Density ΓHF(r1,r2),the electron-electron radial density distribution D(r1,r2), One-electron radial density distribution D(r1), the expectation values ?r_12^n ?,?r_1^n ?, the standard deviation Δr_12,Δr_1, the inter-electronic distribution function f (r12) and the energy expectation value ?E_HF ?,?V_T ?,?V_en ?,?V_ee ?and ?T? the 1s, 2s and 2p-shells for the five_electron system are examined in position space within the ground state in the (Ne+5, Na+6, Mg+7, Al+8, Si+9 and P+10 ions) by using Hartree-Fock wave function. These parameters are very important in studying of physical and chemical properties of the atoms, and for this purpose a computer program was designed in MATHCAD14 to calculate these parameters for ions.
Keywords: Hartree-Fock, Atomic Properties, Hamiltonian Operator, Hartree-Fock Energies, Five Electron System
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