COMPUTATION OF ELECTRONIC STRUCTURE OF AN ATOM IN THE HARTREE-FOCK APPROXMATION

In this work, FORTTRAN program has been applied to evaluate the energy level of generally small atomic systems. The program was specifically directed to compute the Hartree-Fock equations. The ground state structures of small atomic systems are obtained using Hartree-Fock approximation. The total energies calculated for each of the state (1s, 2s, 2p) approximately agreed with those of experimental results as compared. Due to non-linearities introduced by Hartree-Fock approximation, the equations are solved using non-linear method such as iteration. The physical implication of this important finding has helped to identified clearly the parameter space accessible to the Hartree-Fock method.