论原子的变形性--原子与原子核的比较研究
On deformability of atoms---comparative study between atoms and atomic nuclei
摘要：
原子核可以自发变形为非球形的多核子系统。我们讨论到何种程度上发生类似的变形在多电子系统。为此，我们采用了几种多体方法，如无限制Hartree-Fock方法，post-Hartree-Fock方法和密度泛函理论，来计算原子中的电子密度分布。我们发现，开壳层原子的电子密度分布是由于单粒子价轨道的变形，而核心部分保持球形。这与原子核相反，原子核可以集体变形。我们定性地讨论了原子和原子核之间的这种明显差异的起源，通过估计由于变形的能量变化。我们发现，相互作用的性质起着至关重要的作用的集体变形。
英文摘要：
Atomic nuclei can be spontaneously deformed into non-spherical shapes as many-nucleon systems. We discuss to what extent a similar deformation takes place in many-electron systems. To this end, we employ several many-body methods, such as the unrestricted Hartree-Fock method, post-Hartree-Fock methods, and the density functional theory, to compute the electron density distribution in atoms. We show that the electron density distribution of open-shell atoms is deformed due solely to the single-particle valence orbitals, while the core part remains spherical. This is in contrast to atomic nuclei, which can be deformed collectively. We qualitatively discuss the origin for this apparent difference between atoms and nuclei by estimating the energy change due to deformation. We find that nature of the interaction plays an essential role for the collective deformation.
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