Estimation of Boron Ground State Energy by Monte Carlo Simulation

K. M. Ariful Kabir; Amal Halder

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Estimation of Boron Ground State Energy by Monte Carlo Simulation

机译：蒙特卡罗模拟估算硼基态能

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Quantum Monte Carlo (QMC) method is a powerful computational tool for finding accurate approximation solutions of the quantum many body stationary Schrodinger 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.

机译：量子蒙特卡洛（QMC）方法是一种功能强大的计算工具，可用于为原子，分子，固体和多种模型系统的多体平稳薛定inger方程寻找精确的量子近似解。使用变分蒙特卡罗方法，我们计算了硼原子的基态能。我们的计算基于使用经过修改的五参数试验波函数，与之前介绍的参数较少的试验波函数相比，该方法可得出良好的结果。基于随机数，我们可以生成大量的电子位置样本，以估计硼的基态能。根据比较，在我们的模拟中获得的能量与实验值和其他公认的值非常一致。

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《American Journal of Applied Mathematics》 |2015年第3期|共6页
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K. M. Ariful Kabir; Amal Halder;
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Estimation of Boron Ground State Energy by Monte Carlo Simulation

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