EVALUTION OF ATOMIC PROPERTIES FOR LI-LIKE IONS SYSTEMS USING
HARTREE-FOCK AND CONFIGURATION INTERACTION METHODS
الباحث الأول:
Prof.Dr.Qassim Shamkhi al khafaji
الباحثين الآخرين:
Prof.Dr.shaymaa Awad Kadhim
Hasanain Alawadi
PhD.Ihab Alfadhel
Noor Ali jaafar
المجلة:
4th Latin American International Conference on Natural and Applied Sciences
تاريخ النشر:
15 مارس، 2023
مختصر البحث:
ABSTRACT
In this study, we investigated the effect of electron correlation for three-electrons systems ,on the K
shell , KL(1S)-shells (singlet states) and KL(3S)-shells (triplet states) in the ground state of Li-like ions (Li
atom, Be+ ion, B+…
ABSTRACT
In this study, we investigated the effect of electron correlation for three-electrons systems ,on the K
shell , KL(1S)-shells (singlet states) and KL(3S)-shells (triplet states) in the ground state of Li-like ions (Li
atom, Be+ ion, B+2 ion, and C+3 ion). Among the atomic properties, are the inter-particle distribution
function f(r12) for the Hartree -Fock (HF) and configuration interaction (CI) wave function
approximations. The one-particle radial density distribution function D(r) expected values for the
two techniques and ( <r1
n> , <r12
n>) where n is an integer number from -2 to 2 ,the standard
deviation
r
1
and
r
12
.The properties of the energies expectation values, repulsion potential
energy < Vee >, attractive potential energy< Ven > , total potential energy <V> , kinetic energy <T>
and total energy <E>. In conclusion increasing the atomic number leads to an increase in all studied
energies by increasing the amount of ionization of the studied elements with both approximations,
and it was found that the CI is the closest to the practical values, because it takes into account the
neglected electronic bonding by the HF method. Finally, the equations have been programmed in
Mathematics 2015 and all calculations have been calculated in atomic units
