Computation of the Cohesive Energies of NaCl, SiO2 and Al Using Density Functional Theory
Aungwa Francis, S. G. Abdu, Ali Haruna & Eli Danladi · Physical Science International Journal · 2016
In this paper, the cohesive energies of Sodium Chloride (NaCl), Silicon dioxide (SiO2) and Alum inum (Al) based on computer code FHI-aims were calculated using Density Functional Theory. The code has several input parameters in which some of the variables were optimized. The cohe...