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Title: Estimation of beryllium ground state energy by Monte Carlo simulation

Abstract

Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few 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 Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.

Authors:
 [1];  [2]
  1. Department of Physical Sciences, School of Engineering and Computer Science, Independent University, Bangladesh (IUB) Dhaka (Bangladesh)
  2. Department of Mathematics, University of Dhaka Dhaka (Bangladesh)
Publication Date:
OSTI Identifier:
22490174
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1660; Journal Issue: 1; Conference: ICoMEIA 2014: International conference on mathematics, engineering and industrial applications 2014, Penang (Malaysia), 28-30 May 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ATOMS; BERYLLIUM; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; ELECTRONS; GROUND STATES; MATHEMATICAL SOLUTIONS; MOLECULES; MONTE CARLO METHOD; RANDOMNESS; SCHROEDINGER EQUATION; SOLIDS; VARIATIONAL METHODS

Citation Formats

Kabir, K. M. Ariful, and Halder, Amal. Estimation of beryllium ground state energy by Monte Carlo simulation. United States: N. p., 2015. Web. doi:10.1063/1.4926633.
Kabir, K. M. Ariful, & Halder, Amal. Estimation of beryllium ground state energy by Monte Carlo simulation. United States. doi:10.1063/1.4926633.
Kabir, K. M. Ariful, and Halder, Amal. Fri . "Estimation of beryllium ground state energy by Monte Carlo simulation". United States. doi:10.1063/1.4926633.
@article{osti_22490174,
title = {Estimation of beryllium ground state energy by Monte Carlo simulation},
author = {Kabir, K. M. Ariful and Halder, Amal},
abstractNote = {Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few 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 Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.},
doi = {10.1063/1.4926633},
journal = {AIP Conference Proceedings},
number = 1,
volume = 1660,
place = {United States},
year = {Fri May 15 00:00:00 EDT 2015},
month = {Fri May 15 00:00:00 EDT 2015}
}
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