Physical Science International Journal

The Study of Silver Nanoparticles in Basis of Slater Functions

Abel M. Maharramov *

Baku State University, Azerbaijan

Mahammadali A. Ramazanov

Baku State University, Azerbaijan

Arzuman G. Gasanov

Baku State University, Azerbaijan

Faig G. Pashaev

Baku State University, Azerbaijan

*Author to whom correspondence should be addressed.

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Abstract

One of the variant of the molecular orbitals method - the semi-empirical Wolfsberg – Helmholz method was used in order to investigate the properties of the silver nanoparticles. For construction of molecular orbitals of Ag₁₆   are used 5s-, 5p_y-, 5p_z-, and 5p_x- valence Slater atomic orbitals of silver atoms. The analytic expression of the basis Slater functions was defined. The orbital energies, ionization potential, the total electronic energy and effective charge of atoms of silver nanoparticles were calculated by solution of equations of molecular orbitals method. The results indicate that the Ag₁₆ nanoparticles are soft, electrophile and stabile semi-conductive material.

 

Keywords: Molecular orbital methods, nanoparticles, computer modeling

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