Open AccessCalculation Some Atomic Properties For Three and Four Electron Systems by Using Hartree- Fock Method
Author(s) -
Wasan A. Hussien
Publication year - 2020
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/757/1/012068
Subject(s) - atomic physics , wave function , hartree–fock method , electron , effective nuclear charge , electron density , charge density , atomic number , particle (ecology) , distribution function , function (biology) , physics , distribution (mathematics) , energy (signal processing) , chemistry , quantum mechanics , mathematics , mathematical analysis , oceanography , evolutionary biology , biology , geology
In this paper many physical properties evaluated like two particles radial density distribution function D ( r 1, r 2), one-particle radial density distribution function D ) ( r 1) has been evaluated by using Hartree-Fock type wave function for three and four electron systems (Li, Li −1 , Be, Be +1 , B+ 2 ) and the inter particle expectation values 〈r〉 has been evaluated too. Also it was calculation the expectation values for all energies 〈V en 〉, 〈V ee 〉, 〈V〉, 〈T〉 and 〈E HF 〉. All the results and the behaviors obtained in this work have been discussed, interpreted and compared with those previously obtained. It was found that the maximum of one-particle density distribution is shifting to the origin by increasing the atomic number (Z), due to the attraction forces between the nucleus and the electron clouds, As atomic number is Z increase, all the total energies are increases because the increasing nuclear charge effect. The results also indicate that attraction energy expectation values 〈V en 〉 are larger than the repulsion energy expectation value 〈V ee 〉.