Chemical Physics ( IF 2.0 ) Pub Date : 2020-08-19 , DOI: 10.1016/j.chemphys.2020.110877 D.J. Nader
In the present manuscript the electronic structure of the helium-like atoms (nuclear charge ) is explored in the presence of a magnetic field a.u. The states of interest are the lowest states and in this range of magnetic fields. A compact trial function with only eight variational parameters is designed following the arguments of physical relevance and the variational energy is calculated by employing the variational Monte Carlo method. The results are in good agreement compared to the previous literature. The critical magnetic field where the lowest states cross each other is estimated and it is found that they exhibit a quadratic behavior as a function of the nuclear charge.
中文翻译:
磁场中的类氦原子:使用紧凑试验函数的变分蒙特卡罗方法
在本手稿中,类氦原子的电子结构(核电荷 在有磁场的情况下进行探索 au感兴趣的状态是最低的状态 和 在这个磁场范围内。根据物理相关性的参数,设计了一个只有八个变化参数的紧凑试验函数,并使用变化蒙特卡罗方法计算了变化能量。与以前的文献相比,结果吻合良好。估计最低状态彼此相交的临界磁场,并且发现它们表现出与核电荷有关的二次行为。