Evaluation of the ground state correlation energy for two and three electron systems have (Z=15 – 20)

Abstract: Correlation energies for all like ions of two electrons systems (P+13, S+14, Cl+15, Ar+16, K+17and Ca+18) and three electrons systems (P+12, S+13, Cl+14, Ar+15, K+16and Ca+17) are obtained by taking difference between theoretical total energies of Hartree- Fock calculations and experimental total energies. 

The atomic properties are calculated very important to describe the dynamics in atomic systems.     

 In this research used the division technique for the analysis the three electron system, also all the examining atomic properties were normalized and we used the atomic units in our calculations and the results is get by using Mathcad 14 program.

Keywords: correlation energy, Hartree- Fock, atomic units, atomic properties, Hamiltonian operator.       

Title: Evaluation of the ground state correlation energy for two and three electron systems have (Z=15 – 20)

Author: Ameer F. Shamkhi, Maryam Hakim AL-Quraishi, Qassim Shamkhi AL-Khafaji, Shaymaa awad  kadhim, Hawraah  hashem abbasde

International Journal of Novel Research in Physics Chemistry & Mathematics

ISSN 2394-9651

Vol. 10, Issue 3, September 2023 - December 2023

Page No: 107-114

Novelty Journals

Website: www.noveltyjournals.com

Published Date: 10-November-2023

DOI: https://doi.org/10.5281/zenodo.10100749

Paper Download Link (Source)

https://www.noveltyjournals.com/upload/paper/Evaluation%20of%20the%20ground%20state-10112023-1.pdf