论文标题

He,Li,Be Atoms和氢分子的非正统尺寸插值

Unorthodox dimensional interpolations for He, Li, Be atoms and hydrogen molecule

论文作者

Ghosh, Kumar J. B., Kais, Sabre, Herschbach, Dudley R.

论文摘要

我们提出了一个简单的插值公式,使用尺寸限制$ d = 1 $和$ d = \ infty $,以获取原子和分子的基础能量$ d = 3 $。对于原子,这些限制是通过电子电子相互作用的一阶扰动项链接的。这种非正统的方法是由两个,三个和四个电子原子的地面说明的,以获取相当准确的结果。此外,我们在宽范围的核距离r上处理H $ _2 $的基础,并与完整配置相互作用方法的标准精确结果进行了很好的比较。相似的维插值可能对复杂的多体系统有用。

We present a simple interpolation formula using dimensional limits $D=1$ and $D=\infty$ to obtain the $D=3$ ground-state energies of atoms and molecules. For atoms, these limits are linked by first-order perturbation terms of electron-electron interactions. This unorthodox approach is illustrated by ground-states for two, three, and four electron atoms, with modest effort to obtain fairly accurate results. Also, we treat the ground-state of H$_2$ over a wide range of the internuclear distance R, and compares well with the standard exact results from the Full Configuration Interaction method. Similar dimensional interpolations may be useful for complex many-body systems.

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