International Journal of Mathematics and Computational Science
Articles Information
International Journal of Mathematics and Computational Science, Vol.3, No.3, Jun. 2017, Pub. Date: Dec. 9, 2017
Monte Carlo Simulation for Ground State Energies of Atoms
Pages: 15-20 Views: 1758 Downloads: 1213
Authors
[01] K. M. Ariful Kabir, Department of Mathematics, Bangladesh University of Engineering and Technology, Dhaka, Bangladesh.
[02] Rakibul Hasan, Department of Computer Science and Engineering, Southeast University, Dhaka, Bangladesh.
[03] Amal Krishna Halder, Department of Mathematics, University of Dhaka, Dhaka, Bangladesh.
Abstract
Quantum Monte Carlo (QMC) technique is a legitimate and influential tool for searching accurate approximate solutions of many body Schrӧdinger equations for atoms. The purpose of this study is to explore the application of this technique to find the ground state energies for He, Li, B and C (n=2-6). A modified n-parameters trial wave function is proposed which leads to good result in comparison with other trial functions presented before. To estimate the ground state energies, quantum variational principle with trial wave functions and random number is used to generate a large number sample of electron locations. In addition, equilibrium states of Energies as well as standard deviations are plotted. The experimental data are presented for comparison.
Keywords
Monte Carlo Simulation, Atom, Ground State Energy, Schrödinger Equation
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