Investigation of the Atomic Properties for Helium-Like
S Entisar Farhan, B. A. Almayahi
Abstract
S Entisar Farhan, B. A. Almayahi
Abstract
In this paper some atomic properties of He-like ions (Z=14 to 19) in the closed shells are investigated using implement Hartree-Fock wave function. This study started from the standard N-electron Hamiltonian in Hartree atomic units, ћ = a o = m = e =1. The atomic properties such as inter-particle distribution function, one-particle radial distribution function, two-particle radial density function, and all expectation values r n 1 >, n 12 > ,〈V〉,〈T〉,〈E〉) are obtained numerically using programs Math CAD 2013. The non-relativistic Hartree-Fock energies for the ions (Si 14+ , P 15+ , Su 16+ , Cl 17+ , Ar 18+ , and K 19+ ) were calculated. It was found that the correlation energies of the respective ions were -187.35802 Hartree, -215.73958 Hartree, -246.114 Hartree, -278.482 Hartree, -312.858 Hartree, and -349.231 Hartree, respectively.
A significance statement is not available in the OpenAlex record.
A contribution statement is not available in the OpenAlex record.
Method details are not available in the OpenAlex metadata.
Findings are not separately available in the OpenAlex metadata.
Limitations are not available in the OpenAlex metadata.
Application details are not available in the OpenAlex metadata.
In this paper some atomic properties of He-like ions (Z=14 to 19) in the closed shells are investigated using implement Hartree-Fock wave function. This study started from the standard N-electron Hamiltonian in Hartree atomic units, ћ = a o = m = e =1. The atomic properties such as inter-particle distribution function, one-particle radial distribution function, two-particle radial density function, and all expectation values r n 1 >, n 12 > ,〈V〉,〈T〉,〈E〉) are obtained numerically using programs Math CAD 2013. The non-relativistic Hartree-Fock energies for the ions (Si 14+ , P 15+ , Su 16+ , Cl 17+ , Ar 18+ , and K 19+ ) were calculated. It was found that the correlation energies of the respective ions were -187.35802 Hartree, -215.73958 Hartree, -246.114 Hartree, -278.482 Hartree, -312.858 Hartree, and -349.231 Hartree, respectively.
Key concepts: Hartree, Hartree–Fock method, Ion, Atomic physics, Hamiltonian (control theory), Chemistry, Wave function, Helium