2015Unpublished venueRequires access

Investigation of the Atomic Properties for Helium-Like

S Entisar Farhan, B. A. Almayahi

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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.

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What this paper is about

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.

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Available 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.

Key concepts: Hartree, Hartree–Fock method, Ion, Atomic physics, Hamiltonian (control theory), Chemistry, Wave function, Helium

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