当前位置: X-MOL 学术Chem. Phys. Lett. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
The confined Be atom by soft potentials of Gaussian type
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2020-11-14 , DOI: 10.1016/j.cplett.2020.138197
F. Arias de Saavedra , E. Buendía , F.J. Gálvez

A study of the ground state of the confined beryllium atom under penetrable spherical walls of Gaussian type is carried out. The behavior of the total energy and its partial contributions: kinetic, electron–nucleus and electron–electron energies are analyzed as a function of the position of the barrier. A study about the behavior of the single particle energies and density is also performed. The Numerical Parameterized Optimized Effective Potential method is employed for all the calculations.



中文翻译:

受高斯型软势约束的Be原子

对高斯型可穿透球形壁下受限铍原子的基态进行了研究。总能量的行为及其部分贡献:动能,电子核能和电子电子能作为势垒位置的函数进行分析。还对单粒子能量和密度的行为进行了研究。所有计算均采用数值参数化的最佳有效电位方法。

更新日期:2020-11-15
down
wechat
bug