超重元素中$5g$电子的轨道坍缩与双态共存
Orbital collapse and dual states of the $5g$ electrons in superheavy elements
AI总结：
本文证明超重元素中$5g$电子在改变总角动量$J$时发生轨道坍缩，并发现某些元素存在内阱与外阱双态共存，径向波函数均无节点，并用组态相互作用方法验证。
摘要：
本文研究了超重元素（SHE）原子中$5g$和$6f$电子的轨道坍缩问题。此前，周期表中$4f$和$5f$元素的轨道坍缩现象已被证实。由于$f$和$g$电子具有较大的离心项，其有效径向势呈现双阱结构：一个窄而深，另一个宽而浅。根据外部参数的不同，电子可能定域于外阱（结合能低、平均半径大），也可能定域于内阱（结合能较高、半径较小）。本工作证明了当改变原子的总角动量$J$时，$5g$电子会发生轨道坍缩。我们还发现，对于某些超重元素，同一组Dirac-Fock方程可以存在两个不同的解，其中$5g$电子分别定域于内阱或外阱。在两种情况下，径向波函数均无节点。此外，我们还利用Dirac-Fock-Sturm轨道基组中的组态相互作用方法研究了双态共存问题。
英文摘要：
The problem of orbital collapse of the $5g$ and $6f$ electrons in atoms of superheavy elements (SHE) is considered. Previously, the presence of the orbital collapse was established for the $4f$ and $5f$ elements of the periodic table. Because of the large centrifugal term for the $f$ and $g$ electrons, the effective radial potential has two wells, one narrow and deep and the other wide but shallow. Depending on the external parameters, the electron can be either localized in the outer well with low binding energy and large average radius or in the inner one with higher energy and smaller radius. In this work, we demonstrate the existence of the orbital collapse for the $5g$ electrons when changing the total angular momentum $J$ of the atom. We also found that for some SHE elements, two different solutions of the same Dirac-Fock equations may coexist, with the $5g$ electron localized either in the inner or outer well. In both cases, the radial wave functions are nodeless. The problem of the dual-state coexistence is studied by the configuration-interaction method in the Dirac-Fock-Sturm orbital basis as well.
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