| Autor: |
AL-Sharaa, Mayada J., al khafaji, Qassim Shamkhi, Kadhim, Shaymaa Awad, AL-Quraishi, Maryam Hakim |
| Předmět: |
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| Zdroj: |
Library of Progress-Library Science, Information Technology & Computer; Jul-Dec2024, Vol. 44 Issue 2s, p189-196, 8p |
| Abstrakt: |
The present study derives the Hartree-Fock equations for multi-electron systems by solving the Hartree-Fock equations via algebraic approximation, or Hartree-Fock-Ruthan (H-F-R), utilizing the electron density functions (r1, r2). a method using Slater-type atomic orbitals to determine the relationship between the orbitals and the examined atomic properties of the determined atomic numbers. The radial density distribution function D(r1) for one electron, and the anticipated values of one-particle 〈r_1^n 〈 for two-electrons in orbital (2S2) are the features examined in this investigation. Also, the selected atoms have atomic numbers between 4 and 15. The outcome demonstrated that as the atomic number (Z) climbed, so did the maximum values of D (r1) and the expected value. Additionally, the nuclear magnetic shielding constant [ (σ] _d) increased as Z increased, the equations have been programmed in Mathematics 2001i and all calculations have been calculated in atomic units. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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