| Abstrakt: |
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). While studying about the properties of atoms, you will look at values of positions corresponding to the maximum values of one particle's radial function D(r). Approximation techniques such as Hartree-Fock (HF) and Configuration Interaction (CI) were also used to compute the inter particle distribution of functions f(r12) and the differences in positions values (Δr) and maximum values ΔD(r) for the inter-shells KL(1S)-shells (singlet states) and KL(3S) inter particle (r12). As the number of ionizations increases, so do the attraction potential energy and the repulsion potential energy ; however, there is a significant difference in this case, which applies to the energies values , < T >, and < E >. All computations in Mathematics 2015 were done in atomic units, and the attributes obtained via equations were programmed, finally, the obtained data were treated statistically using the statistical program SPSS version 20,to find out the extent of convergence or divergence in the results between the current work and the practical data. It is possible to benefit from the results obtained in predicting and interpreting electronic spectra, such as UV-Vis absorption spectra, is facilitated by Hartree-Fock calculations. These simulations assist in understanding experimental spectroscopic data. [ABSTRACT FROM AUTHOR] |
