الرئيسية / الفعاليات العلمية / Estimation Hartree – Fock’s energy for the carbon atom and the ions are similar

Estimation Hartree – Fock’s energy for the carbon atom and the ions are similar

Saleem H Trier1
, Shaymaa A Kadhim2
, Zahra Mousa Hamza3
and Qassim
Shamkhi AL-Khafaji4
1Department of Environment, College of Science, University of Al- Qadisiyah, Diwaniyah,
Iraq
2Department of physics , College of science, University of kufa
3AL furat al awssat Technical University 31003 / Kufa Technical Institute
4Department of physics, College of science , University of kufa
E-mail: Salemhamza79@yahoo.com
Abstract. In this paper, was used the technique of fragmentation to analyze the systems
studied based on the energy of repulsion between electronic pairs. The energy of Hartree –
Fock was calculated for the carbon atom (C) and the similar ions (N
+1
) and (O
+2) ,When the
results of the energies compared with the global publications we found a large agreement
also studied the atomic properties by using atomic units.
Keywords: Roothaan–Hartree -Fock, density function, radial expectation values ,
Hamiltonian operator.

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