VARIATIONAL QUANTUM MONTE CARLO CALCULATION OF THE GROUND STATE ENERGY OF HYDROGEN MOLECULE

The ground state energy of the hydrogen molecule was numerically analysed using the quantum Monte Carlo (QMC) method. The type of QMC method used in this work is the Variational Quantum Monte Carlo [VQMC]. This analysis was done under the context of the accuracy of Born-Oppenheimer approximation [fixed nuclei restriction]. The ground state energies of Hydrogen molecule for different interproton separation ⎟⎠ ⎛ − 00.14.0 A are computed and compared with previous numerical and empirical results that are essentially exact. It has been found that the ground state energy of the hydrogen molecule obtained in this work approaches the precise valu