论文标题
建模两个原子与氢样波函数的潜在相互作用能
Modeling the potential interaction energy of two atoms with hydrogen-like wave functions
论文作者
论文摘要
原子与原子相互作用的势能的傅立叶成分表示为原子形成的第四度的多项式。在类似氢波函数的近似值中，对原子形态进行了数值计算。结果表明，考虑到保利原理会导致两个当地潜在的井，这些井被潜在的障碍所隔开。结果表明，该模型在潜在井深度的实验中给出了令人满意的一致性，但是其位置和宽度与用双原子颗粒分子（二聚体）的实验结果不同。结果表明，两个铍原子的进一步方法导致了新的潜在最小值，这在文献中找不到。
The Fourier component of the potential energy of interaction of an atom with an atom is represented as a polynomial of the fourth degree from the atomic form factor. A numerical calculation was performed for the atomic form factor in the approximation of hydrogen-like wave functions. It is shown that taking the Pauli principle into account leads to two local potential wells, which are separated by a potential barrier. It was shown that this model gives satisfactory agreement with the experiment in the depth of the potential well, but its position and width differ from the results of the experiment with a diatomic beryllium molecule (dimer). It is shown that the further approach of two beryllium atoms leads to a new potential minimum, which could not be found in the literature.
