KAJIAN METODE PENGHAMPIRAN HARTREE-FOCK UNTUK ATOM-ATOM RINGAN DAN POTENSI PENGGUNAANNYA UNTUK ATOM BARIUM; THE HARTREE-FOCK APPROXIMATION STUDY FOR LIGHT ATOMS AND ITS POTENTIAL APPLICATION FOR BARIUM ATOM

EKO TRI SULISTYANI, Pekik Nurwantoro

2010 | Disertasi | PROGRAM STUDI S2 ILMU FISIKA

In this thesis the Schr?odinger equation has been solved to find stationary wave functions for complex atoms using Hartree-Fock Numerical Approximation Method. The Hartree-Fock Numerical Approximation Method is a method based on approximation of central field and variational method. This method is used because for complex atoms with N ? 2 the Schr?odinger equation can only be solved using approximation method. The above wave functions were used to calculate the the electron density, Fock potensial, electrostatic potential and total energy which is used for Hydrogenic atoms, helium and Barium. The computational method used is the Green function method which has been supported by the shooting method using the Numerov algorithm for solving the inhomogeneous boundary value problem appearing in Hartree-Fock equations of complex atoms. The result showed that this computational method for light atoms like Hidrogen, Helium give statisfactory result, while for Barium atom we need some modifications in formula for finding wave functions with Z ? 10.

Kata Kunci : Metode penghampiran Hartree-Fock, atom ringan