A Theoretical Study of the Atomic Properties for Subshells of N⁺ and O⁺² Using Hartree-Fock Approximation

Hayder Ali Abd Alabas^1, , Qassim Shamkhi AL-Khafaji¹ and Abbas Hassan Raheem¹

¹Department of physics, Faculty of Sciences, Kufa University, Iraq

Cite this paper:
Hayder Ali Abd Alabas, Qassim Shamkhi AL-Khafaji and Abbas Hassan Raheem. A Theoretical Study of the Atomic Properties for Subshells of N⁺ and O⁺² Using Hartree-Fock Approximation. International Journal of Physics. 2016; 4(4):74-77. doi: 10.12691/ijp-4-4-1

Abstract

In this research, we calculated the atomic properties of systems have been studied (N⁺ and O⁺² ) for intra-shells (1s, 2s and 2p) using Hartree-Fock wave function. These properties included, one-particle radial density function, one-particle and inter-particle expectation values, inter-particle density function and expectation values of energies. All these atomic properties increase with atomic number, have highest values in 1s shell and lowest values in 2p shell. All results are obtained numerically by using the computer program (MathCad 14) because it able to calculation and plot functions. All atomic properties are calculated in atomic units.

Keywords:
Hamiltonian operator wave function Approximation methods multi-electron systems and Hund's rules

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