Empirical Report on Density of Gallium Arsenide Molecule Through Density Function Theory

Density of molecules like GaAs as several method to find its density but the most efficient one is always preferred over the other, here work has been done to find out the density of Gallium Arsenide (GaAs) through Density Functional Theory, an empirical way to find the density of molecule having more than one electron in the atom. The method is suitable to find out density approximately in few times. The conventional theory of Schrödinger’s would require seven years to solve the problem with complex molecular structures. Avogadro software is utilized to draw the structure of GaAs and theories of Miller has been utilized to find the position of atoms in the molecule. DFT has several approximation methods, to be most accurate, Hartree-Fock method was utilized to find out the density of the molecule which was achieved close in the simulation from the actual result. The report proves the suitability of finding the density of various complex molecules through the DST approximation methods.