Estimation of Boron Ground State Energy by Monte Carlo Simulation

Quantum Monte Carlo (QMC) method is a powerful computational tool for finding accurate approximation solutions of the quantum many body stationary Schrödinger equations for atoms, molecules, solids and a variety of model systems. Using Variational Monte Carlo method we have calculated the ground state energy of the Boron atom. Our calculations are based on using a modified five parameters trial wave function which leads to good result comparing with fewer parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Boron. Based on comparisons, the energy obtained in our simulation are in excellent agreement with experimental and other well established values.